REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1k25_1_A DATA FIRST_RESID 67 DATA SEQUENCE QITRTVPAKR GTIYDRNGVP IAEDATSYNV YAVXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXTTSPNR SYPNGQFASS FIGLAQLHEN EDGSKSLLGT DATA SEQUENCE SGMESSLNSI LAGTDGIITY XXXXXGNIVP GTELVSQQTV DGKDVYTTLS DATA SEQUENCE SPLQSFMETQ MDAFLEKVKG KYMTATLVSA KTGEILATTQ RPTFNADTKE DATA SEQUENCE GITEDFVWRD ILYQSNYEPG SAMKVMTLAS SIDNNTFPSG EYFNSSELXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXSS NVGMSLLEQK MGDATWLDYL DATA SEQUENCE KRFKFGVPTR FGLTDEYAGQ LPADNIVSIA QSSFGQGISV TQTQMLRAFT DATA SEQUENCE AIANDGVMLE PKFISAIYDT NNQSVRKSQK EIVGNPVSKE AASTTRNHMI DATA SEQUENCE LVGTDPLXXX XXXXXXXXXI ITVPGQNVAV KSGTAQIADE KNGGYLVGST DATA SEQUENCE NYIFSAVTMN PAENPDFILY VTVQQPEHYS GIQLGEFATP ILERASAMKE DATA SEQUENCE SLNLQSPAKN LDKVTTESSY AMPSIKDISP GELAEALRRN IVQPIVVGTG DATA SEQUENCE TKIKETSVEE GTNLAPNQQV LLLSDKVEEI PDMYGWKKET AETFAKWLDI DATA SEQUENCE ELEFEGSGSV VQKQDVRTNT AIKNIKKIKL TLGD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 67 Q HA 0.000 nan 4.340 nan 0.000 0.214 67 Q C 0.000 176.003 176.000 0.005 0.000 1.003 67 Q CA 0.000 55.806 55.803 0.004 0.000 1.022 67 Q CB 0.000 28.740 28.738 0.003 0.000 1.108 68 I N 1.171 121.745 120.570 0.006 0.000 2.775 68 I HA 0.433 4.603 4.170 -0.000 0.000 0.295 68 I C -0.835 175.286 176.117 0.007 0.000 1.287 68 I CA -0.669 60.635 61.300 0.006 0.000 1.029 68 I CB 2.679 40.684 38.000 0.009 0.000 1.282 68 I HN 0.736 nan 8.210 nan 0.000 0.426 69 T N 0.213 114.770 114.554 0.005 0.000 3.583 69 T HA 0.465 4.815 4.350 -0.000 0.000 0.266 69 T C -0.014 174.690 174.700 0.006 0.000 1.296 69 T CA -0.584 61.520 62.100 0.006 0.000 1.668 69 T CB 0.385 69.256 68.868 0.004 0.000 0.832 69 T HN 0.810 nan 8.240 nan 0.000 0.649 70 R N 0.952 121.458 120.500 0.010 0.000 2.538 70 R HA 0.541 4.881 4.340 -0.000 0.000 0.282 70 R C 0.174 176.480 176.300 0.010 0.000 1.009 70 R CA 0.095 56.201 56.100 0.010 0.000 1.063 70 R CB -0.924 29.389 30.300 0.021 0.000 0.945 70 R HN 0.642 nan 8.270 nan 0.000 0.414 71 T N 1.952 116.509 114.554 0.005 0.000 2.809 71 T HA 0.426 4.776 4.350 -0.000 0.000 0.284 71 T C -0.558 174.144 174.700 0.004 0.000 0.992 71 T CA -0.548 61.555 62.100 0.005 0.000 0.957 71 T CB 1.606 70.476 68.868 0.002 0.000 0.942 71 T HN 0.430 nan 8.240 nan 0.000 0.439 72 V N 7.120 127.039 119.914 0.008 0.000 2.348 72 V HA 0.306 4.426 4.120 -0.000 0.000 0.270 72 V C -1.825 174.268 176.094 -0.002 0.000 1.037 72 V CA -2.012 60.292 62.300 0.006 0.000 0.872 72 V CB 0.877 32.713 31.823 0.022 0.000 1.002 72 V HN 0.715 nan 8.190 nan 0.000 0.464 73 P HA 0.166 nan 4.420 nan 0.000 0.267 73 P C -0.447 176.842 177.300 -0.018 0.000 1.205 73 P CA 0.070 63.158 63.100 -0.020 0.000 0.765 73 P CB 1.050 32.730 31.700 -0.034 0.000 0.828 74 A N 4.062 126.876 122.820 -0.010 0.000 2.327 74 A HA 0.239 4.559 4.320 -0.000 0.000 0.283 74 A C 0.523 178.103 177.584 -0.008 0.000 1.127 74 A CA -0.838 51.197 52.037 -0.002 0.000 0.810 74 A CB 0.139 19.141 19.000 0.003 0.000 1.066 74 A HN 0.586 nan 8.150 nan 0.000 0.492 75 K N 2.889 123.290 120.400 0.001 0.000 2.367 75 K HA -0.050 4.270 4.320 -0.000 0.000 0.275 75 K C 0.467 177.059 176.600 -0.012 0.000 1.125 75 K CA 0.145 56.431 56.287 -0.002 0.000 1.133 75 K CB 0.053 32.565 32.500 0.020 0.000 0.875 75 K HN 0.747 nan 8.250 nan 0.000 0.467 76 R N 2.928 123.412 120.500 -0.027 0.000 2.756 76 R HA 0.016 4.356 4.340 -0.000 0.000 0.264 76 R C 0.304 176.572 176.300 -0.052 0.000 1.026 76 R CA 0.482 56.560 56.100 -0.036 0.000 1.121 76 R CB 0.389 30.664 30.300 -0.041 0.000 0.999 76 R HN 0.835 nan 8.270 nan 0.000 0.449 77 G N 0.433 109.198 108.800 -0.057 0.000 2.651 77 G HA2 0.184 4.144 3.960 -0.000 0.000 0.260 77 G HA3 0.184 4.144 3.960 -0.000 0.000 0.260 77 G C -0.706 174.092 174.900 -0.171 0.000 1.216 77 G CA -0.300 44.752 45.100 -0.079 0.000 0.913 77 G HN 0.657 nan 8.290 nan 0.000 0.535 78 T N -1.523 112.858 114.554 -0.288 0.000 2.786 78 T HA 0.516 4.866 4.350 -0.000 0.000 0.283 78 T C 0.108 174.426 174.700 -0.636 0.000 0.992 78 T CA -0.643 61.141 62.100 -0.526 0.000 0.954 78 T CB 1.094 69.488 68.868 -0.790 0.000 0.934 78 T HN 0.330 nan 8.240 nan 0.000 0.440 79 I N 4.673 124.989 120.570 -0.423 0.000 2.357 79 I HA 0.176 4.346 4.170 -0.000 0.000 0.300 79 I C -0.072 175.885 176.117 -0.267 0.000 1.159 79 I CA -0.557 60.587 61.300 -0.260 0.000 1.339 79 I CB -0.552 37.371 38.000 -0.128 0.000 1.458 79 I HN 0.632 nan 8.210 nan 0.000 0.577 80 Y N 4.303 124.458 120.300 -0.242 0.000 2.262 80 Y HA 0.164 4.714 4.550 -0.000 0.000 0.368 80 Y C 0.953 176.830 175.900 -0.038 0.000 1.352 80 Y CA -0.379 57.588 58.100 -0.222 0.000 1.760 80 Y CB 0.345 38.482 38.460 -0.539 0.000 1.627 80 Y HN 0.518 nan 8.280 nan 0.000 0.606 81 D N -0.912 119.642 120.400 0.257 0.000 2.467 81 D HA 0.178 4.818 4.640 -0.000 0.000 0.245 81 D C 0.791 177.252 176.300 0.269 0.000 1.038 81 D CA -0.806 53.346 54.000 0.253 0.000 1.038 81 D CB 0.965 41.918 40.800 0.255 0.000 1.278 81 D HN 0.560 nan 8.370 nan 0.000 0.564 82 R N 0.265 120.907 120.500 0.238 0.000 2.343 82 R HA -0.237 4.103 4.340 -0.000 0.000 0.264 82 R C 0.063 176.472 176.300 0.182 0.000 1.212 82 R CA 2.082 58.305 56.100 0.205 0.000 1.037 82 R CB -0.368 30.037 30.300 0.174 0.000 0.874 82 R HN 0.519 nan 8.270 nan 0.000 0.489 83 N N -2.252 116.559 118.700 0.186 0.000 2.184 83 N HA 0.202 4.942 4.740 -0.000 0.000 0.234 83 N C 0.079 175.662 175.510 0.122 0.000 1.282 83 N CA 0.261 53.389 53.050 0.130 0.000 0.877 83 N CB 1.904 40.448 38.487 0.096 0.000 1.184 83 N HN 0.338 nan 8.380 nan 0.000 0.510 84 G N -0.113 108.803 108.800 0.194 0.000 2.259 84 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 84 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 84 G C 0.024 174.979 174.900 0.091 0.000 1.001 84 G CA -0.240 44.892 45.100 0.052 0.000 0.627 84 G HN 0.111 nan 8.290 nan 0.000 0.501 85 V N 3.367 123.373 119.914 0.153 0.000 2.493 85 V HA 0.287 4.407 4.120 -0.000 0.000 0.292 85 V C -1.348 174.868 176.094 0.204 0.000 1.016 85 V CA -0.377 62.015 62.300 0.153 0.000 1.097 85 V CB 0.825 32.717 31.823 0.115 0.000 0.947 85 V HN 0.184 nan 8.190 nan 0.000 0.479 86 P HA 0.210 nan 4.420 nan 0.000 0.268 86 P C 0.531 177.788 177.300 -0.071 0.000 1.205 86 P CA 0.306 63.422 63.100 0.027 0.000 0.771 86 P CB 0.820 32.506 31.700 -0.022 0.000 0.858 87 I N 1.161 121.650 120.570 -0.134 0.000 3.570 87 I HA 0.229 4.399 4.170 -0.000 0.000 0.270 87 I C 0.476 176.460 176.117 -0.222 0.000 1.162 87 I CA 0.234 61.458 61.300 -0.126 0.000 1.413 87 I CB 0.295 38.314 38.000 0.031 0.000 1.437 87 I HN 0.249 nan 8.210 nan 0.000 0.457 88 A N 2.162 124.782 122.820 -0.333 0.000 2.357 88 A HA 0.619 4.939 4.320 -0.000 0.000 0.295 88 A C -0.666 176.621 177.584 -0.496 0.000 1.121 88 A CA -0.339 51.321 52.037 -0.628 0.000 0.742 88 A CB 0.609 19.251 19.000 -0.598 0.000 1.181 88 A HN 0.350 nan 8.150 nan 0.000 0.454 89 E N 1.528 121.462 120.200 -0.443 0.000 2.433 89 E HA 0.500 4.850 4.350 -0.000 0.000 0.273 89 E C -1.239 175.240 176.600 -0.201 0.000 0.950 89 E CA -0.853 55.367 56.400 -0.301 0.000 0.796 89 E CB 1.121 30.674 29.700 -0.245 0.000 1.330 89 E HN 0.376 nan 8.360 nan 0.000 0.455 90 D N -0.413 119.906 120.400 -0.135 0.000 2.414 90 D HA 0.318 4.958 4.640 -0.000 0.000 0.242 90 D C -0.472 175.806 176.300 -0.037 0.000 1.129 90 D CA 0.474 54.431 54.000 -0.072 0.000 0.885 90 D CB 1.103 41.878 40.800 -0.041 0.000 1.198 90 D HN 0.561 nan 8.370 nan 0.000 0.437 91 A N 2.736 125.546 122.820 -0.017 0.000 2.568 91 A HA 0.204 4.524 4.320 -0.000 0.000 0.287 91 A C 0.528 178.121 177.584 0.016 0.000 0.967 91 A CA -0.434 51.609 52.037 0.010 0.000 1.004 91 A CB -0.068 18.941 19.000 0.015 0.000 1.233 91 A HN 0.541 nan 8.150 nan 0.000 0.513 92 T N 0.570 115.124 114.554 0.000 0.000 2.867 92 T HA 0.200 4.550 4.350 -0.000 0.000 0.290 92 T C 0.396 175.080 174.700 -0.025 0.000 1.025 92 T CA 1.623 63.681 62.100 -0.071 0.000 1.146 92 T CB -0.027 68.777 68.868 -0.108 0.000 1.024 92 T HN 0.671 nan 8.240 nan 0.000 0.519 93 S N 3.193 118.809 115.700 -0.140 0.000 2.600 93 S HA 0.727 5.197 4.470 -0.000 0.000 0.300 93 S C -1.921 172.592 174.600 -0.145 0.000 1.087 93 S CA -0.733 57.481 58.200 0.023 0.000 0.965 93 S CB 0.759 63.980 63.200 0.036 0.000 1.089 93 S HN 0.648 nan 8.310 nan 0.000 0.496 94 Y N 2.643 122.961 120.300 0.030 0.000 2.329 94 Y HA 0.415 4.965 4.550 -0.000 0.000 0.328 94 Y C -0.282 175.646 175.900 0.046 0.000 0.992 94 Y CA -1.543 56.582 58.100 0.040 0.000 1.151 94 Y CB 1.178 39.661 38.460 0.038 0.000 1.150 94 Y HN 0.674 nan 8.280 nan 0.000 0.450 95 N N 1.624 120.428 118.700 0.173 0.000 2.511 95 N HA 0.365 5.105 4.740 -0.000 0.000 0.249 95 N C -0.759 174.860 175.510 0.181 0.000 0.971 95 N CA -0.667 52.466 53.050 0.138 0.000 0.938 95 N CB 1.676 40.215 38.487 0.087 0.000 1.131 95 N HN 0.461 nan 8.380 nan 0.000 0.505 96 V N 3.302 123.313 119.914 0.161 0.000 2.999 96 V HA 0.335 4.455 4.120 -0.000 0.000 0.307 96 V C -0.909 175.316 176.094 0.219 0.000 1.084 96 V CA 0.086 62.479 62.300 0.156 0.000 1.155 96 V CB -0.168 31.693 31.823 0.064 0.000 0.975 96 V HN 0.757 nan 8.190 nan 0.000 0.490 97 Y N 3.736 124.053 120.300 0.030 0.000 2.442 97 Y HA 0.813 5.363 4.550 -0.000 0.000 0.330 97 Y C -0.564 175.347 175.900 0.018 0.000 1.100 97 Y CA -0.720 57.393 58.100 0.022 0.000 1.034 97 Y CB 0.914 39.386 38.460 0.020 0.000 1.285 97 Y HN 0.827 nan 8.280 nan 0.000 0.440 98 A N 3.350 126.180 122.820 0.017 0.000 2.292 98 A HA 0.987 5.307 4.320 -0.000 0.000 0.319 98 A C -0.615 176.992 177.584 0.040 0.000 1.206 98 A CA 0.131 52.137 52.037 -0.051 0.000 0.835 98 A CB 0.531 19.519 19.000 -0.020 0.000 1.164 98 A HN 1.876 nan 8.150 nan 0.000 0.505 182 T N 1.413 115.952 114.554 -0.025 0.000 2.930 182 T HA 0.618 4.968 4.350 -0.000 0.000 0.313 182 T C -0.664 173.902 174.700 -0.222 0.000 1.019 182 T CA -0.468 61.495 62.100 -0.229 0.000 1.004 182 T CB 0.224 68.926 68.868 -0.276 0.000 0.987 182 T HN 0.733 nan 8.240 nan 0.000 0.456 183 S N 6.584 122.150 115.700 -0.224 0.000 2.448 183 S HA 0.632 5.102 4.470 -0.000 0.000 0.320 183 S C -2.533 171.974 174.600 -0.154 0.000 1.071 183 S CA -1.373 56.742 58.200 -0.141 0.000 1.113 183 S CB 1.008 64.163 63.200 -0.076 0.000 0.972 183 S HN 0.645 nan 8.310 nan 0.000 0.465 184 P HA 0.350 nan 4.420 nan 0.000 0.275 184 P C -0.767 176.507 177.300 -0.043 0.000 1.228 184 P CA -0.330 62.716 63.100 -0.091 0.000 0.786 184 P CB 0.668 32.327 31.700 -0.068 0.000 0.927 185 N N 1.065 119.750 118.700 -0.025 0.000 2.647 185 N HA 0.541 5.281 4.740 -0.000 0.000 0.266 185 N C -1.474 174.046 175.510 0.017 0.000 1.373 185 N CA -0.728 52.327 53.050 0.008 0.000 0.807 185 N CB 1.573 40.069 38.487 0.015 0.000 1.513 185 N HN 0.123 nan 8.380 nan 0.000 0.505 186 R N 0.413 120.951 120.500 0.062 0.000 2.451 186 R HA 0.527 4.867 4.340 -0.000 0.000 0.307 186 R C -1.504 174.874 176.300 0.129 0.000 0.965 186 R CA -0.479 55.663 56.100 0.069 0.000 0.865 186 R CB 1.007 31.419 30.300 0.187 0.000 1.174 186 R HN 0.449 nan 8.270 nan 0.000 0.455 187 S N 3.864 119.549 115.700 -0.026 0.000 2.451 187 S HA 0.502 4.971 4.470 -0.000 0.000 0.301 187 S C -1.351 173.194 174.600 -0.092 0.000 1.116 187 S CA -0.406 57.816 58.200 0.037 0.000 1.093 187 S CB 0.370 63.568 63.200 -0.005 0.000 1.017 187 S HN 0.505 nan 8.310 nan 0.000 0.482 188 Y N 5.598 125.890 120.300 -0.013 0.000 2.805 188 Y HA 0.362 4.912 4.550 -0.000 0.000 0.339 188 Y C -1.522 174.343 175.900 -0.058 0.000 1.012 188 Y CA -2.207 55.873 58.100 -0.032 0.000 1.262 188 Y CB 1.015 39.481 38.460 0.011 0.000 1.100 188 Y HN 0.546 nan 8.280 nan 0.000 0.559 189 P HA -0.192 nan 4.420 nan 0.000 0.222 189 P C 0.552 177.810 177.300 -0.071 0.000 1.142 189 P CA 1.503 64.582 63.100 -0.035 0.000 0.788 189 P CB 0.691 32.351 31.700 -0.066 0.000 0.767 190 N N -0.990 117.626 118.700 -0.140 0.000 2.436 190 N HA 0.043 4.783 4.740 -0.000 0.000 0.178 190 N C 1.509 177.001 175.510 -0.030 0.000 1.026 190 N CA 1.387 54.320 53.050 -0.196 0.000 0.880 190 N CB 0.605 38.682 38.487 -0.682 0.000 1.061 190 N HN 0.191 nan 8.380 nan 0.000 0.434 191 G N 1.361 110.176 108.800 0.025 0.000 2.603 191 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.245 191 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.245 191 G C -0.296 174.633 174.900 0.047 0.000 1.195 191 G CA -0.060 45.069 45.100 0.049 0.000 0.953 191 G HN 0.379 nan 8.290 nan 0.000 0.566 192 Q N 0.728 120.544 119.800 0.026 0.000 2.320 192 Q HA 0.446 4.786 4.340 -0.000 0.000 0.262 192 Q C -1.174 174.910 176.000 0.139 0.000 1.225 192 Q CA 0.151 55.944 55.803 -0.017 0.000 0.916 192 Q CB -0.590 28.147 28.738 -0.002 0.000 1.417 192 Q HN 0.793 nan 8.270 nan 0.000 0.462 193 F N 3.202 123.100 119.950 -0.086 0.000 2.839 193 F HA 0.389 4.915 4.527 -0.000 0.000 0.344 193 F C 0.265 176.067 175.800 0.003 0.000 1.242 193 F CA 0.271 58.267 58.000 -0.007 0.000 1.091 193 F CB 0.638 39.661 39.000 0.037 0.000 1.374 193 F HN 0.586 nan 8.300 nan 0.000 0.553 194 A N 2.983 125.732 122.820 -0.118 0.000 3.183 194 A HA -0.358 3.962 4.320 -0.000 0.000 0.277 194 A C 1.970 179.607 177.584 0.087 0.000 1.180 194 A CA 1.855 53.877 52.037 -0.026 0.000 1.022 194 A CB -2.238 16.763 19.000 0.002 0.000 0.923 194 A HN 1.108 nan 8.150 nan 0.000 0.647 195 S N -0.437 115.247 115.700 -0.028 0.000 2.369 195 S HA -0.421 4.049 4.470 -0.000 0.000 0.299 195 S C 2.044 176.636 174.600 -0.014 0.000 1.123 195 S CA 2.418 60.461 58.200 -0.263 0.000 1.430 195 S CB -1.074 61.586 63.200 -0.899 0.000 1.297 195 S HN 1.296 nan 8.310 nan 0.000 0.463 196 S N 1.285 117.026 115.700 0.068 0.000 2.412 196 S HA -0.251 4.219 4.470 -0.000 0.000 0.246 196 S C 1.408 176.235 174.600 0.378 0.000 1.073 196 S CA 1.924 60.318 58.200 0.324 0.000 1.186 196 S CB -0.910 62.440 63.200 0.249 0.000 1.084 196 S HN 0.408 nan 8.310 nan 0.000 0.434 197 F N 2.414 122.442 119.950 0.130 0.000 2.015 197 F HA -0.186 4.341 4.527 -0.000 0.000 0.297 197 F C 2.183 178.030 175.800 0.079 0.000 1.141 197 F CA 1.074 59.133 58.000 0.098 0.000 1.192 197 F CB -0.926 38.095 39.000 0.034 0.000 0.957 197 F HN 0.065 nan 8.300 nan 0.000 0.491 198 I N -0.082 120.570 120.570 0.135 0.000 2.065 198 I HA -0.129 4.041 4.170 -0.000 0.000 0.236 198 I C 1.631 177.803 176.117 0.092 0.000 1.028 198 I CA 2.046 63.378 61.300 0.054 0.000 1.299 198 I CB -1.979 36.155 38.000 0.223 0.000 1.015 198 I HN 0.427 nan 8.210 nan 0.000 0.396 199 G N -0.070 108.872 108.800 0.237 0.000 2.422 199 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.607 199 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.607 199 G C -1.160 173.922 174.900 0.302 0.000 1.270 199 G CA -0.532 44.723 45.100 0.257 0.000 0.992 199 G HN 0.271 nan 8.290 nan 0.000 0.499 200 L N -0.366 120.990 121.223 0.222 0.000 2.445 200 L HA 0.763 5.102 4.340 -0.000 0.000 0.262 200 L C 0.233 177.190 176.870 0.146 0.000 0.974 200 L CA -0.661 54.296 54.840 0.194 0.000 0.822 200 L CB 2.446 44.573 42.059 0.114 0.000 1.339 200 L HN 1.449 nan 8.230 nan 0.000 0.409 201 A N 2.854 125.791 122.820 0.195 0.000 2.399 201 A HA 0.598 4.918 4.320 -0.000 0.000 0.327 201 A C -0.354 177.295 177.584 0.109 0.000 1.367 201 A CA -0.505 51.603 52.037 0.120 0.000 0.842 201 A CB 0.453 19.519 19.000 0.110 0.000 1.142 201 A HN 0.750 nan 8.150 nan 0.000 0.495 202 Q N 0.315 120.157 119.800 0.070 0.000 2.308 202 Q HA 0.416 4.756 4.340 -0.000 0.000 0.207 202 Q C -0.672 175.367 176.000 0.065 0.000 1.035 202 Q CA -0.772 55.065 55.803 0.058 0.000 1.008 202 Q CB 0.903 29.662 28.738 0.034 0.000 1.168 202 Q HN 0.622 nan 8.270 nan 0.000 0.565 203 L N 1.555 122.808 121.223 0.049 0.000 2.259 203 L HA 0.193 4.533 4.340 -0.000 0.000 0.288 203 L C -0.792 176.115 176.870 0.060 0.000 1.051 203 L CA 0.046 54.915 54.840 0.048 0.000 0.824 203 L CB 0.310 42.381 42.059 0.020 0.000 1.206 203 L HN 0.491 nan 8.230 nan 0.000 0.429 204 H N 4.595 123.657 119.070 -0.014 0.000 2.463 204 H HA 0.357 4.913 4.556 -0.000 0.000 0.332 204 H C -1.167 174.150 175.328 -0.018 0.000 1.127 204 H CA -0.514 55.523 56.048 -0.018 0.000 1.238 204 H CB 1.509 31.259 29.762 -0.020 0.000 1.478 204 H HN 0.755 nan 8.280 nan 0.000 0.499 205 E N 4.817 124.901 120.200 -0.194 0.000 2.113 205 E HA 0.172 4.522 4.350 -0.000 0.000 0.273 205 E C -0.460 176.180 176.600 0.068 0.000 0.924 205 E CA -0.859 55.516 56.400 -0.042 0.000 0.764 205 E CB 0.684 30.309 29.700 -0.124 0.000 1.104 205 E HN 0.621 nan 8.360 nan 0.000 0.406 206 N N 2.402 121.215 118.700 0.187 0.000 2.255 206 N HA -0.047 4.693 4.740 -0.000 0.000 0.253 206 N C 0.436 175.997 175.510 0.086 0.000 1.313 206 N CA 0.554 53.709 53.050 0.175 0.000 0.912 206 N CB 0.170 38.712 38.487 0.092 0.000 1.145 206 N HN 0.723 nan 8.380 nan 0.000 0.511 207 E N 0.111 120.351 120.200 0.067 0.000 2.528 207 E HA 0.132 4.482 4.350 -0.000 0.000 0.237 207 E C -0.910 175.701 176.600 0.019 0.000 1.408 207 E CA -0.315 56.106 56.400 0.035 0.000 1.571 207 E CB -1.422 28.295 29.700 0.029 0.000 1.395 207 E HN 0.616 nan 8.360 nan 0.000 0.438 208 D N -3.617 116.794 120.400 0.017 0.000 2.104 208 D HA 0.315 4.955 4.640 -0.000 0.000 0.144 208 D C 0.934 177.237 176.300 0.005 0.000 1.137 208 D CA -0.120 53.884 54.000 0.007 0.000 1.014 208 D CB -0.063 40.741 40.800 0.007 0.000 2.540 208 D HN 0.392 nan 8.370 nan 0.000 0.548 209 G N 3.087 111.884 108.800 -0.005 0.000 3.130 209 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.309 209 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.309 209 G C 0.822 175.720 174.900 -0.004 0.000 1.284 209 G CA 1.935 47.028 45.100 -0.011 0.000 1.295 209 G HN 2.075 nan 8.290 nan 0.000 1.019 210 S N 0.115 115.814 115.700 -0.002 0.000 4.641 210 S HA 0.294 4.764 4.470 -0.000 0.000 0.556 210 S C 0.338 174.948 174.600 0.018 0.000 0.923 210 S CA 1.650 59.852 58.200 0.003 0.000 1.147 210 S CB -0.889 62.315 63.200 0.007 0.000 1.458 210 S HN 1.734 nan 8.310 nan 0.000 0.428 211 K N 2.035 122.440 120.400 0.009 0.000 2.109 211 K HA 0.828 5.148 4.320 -0.000 0.000 0.243 211 K C 0.386 177.002 176.600 0.027 0.000 1.006 211 K CA -0.310 55.992 56.287 0.024 0.000 0.917 211 K CB 0.952 33.453 32.500 0.002 0.000 1.081 211 K HN 2.205 nan 8.250 nan 0.000 0.468 212 S N -0.314 115.413 115.700 0.046 0.000 2.639 212 S HA 0.308 4.778 4.470 -0.000 0.000 0.319 212 S C -1.262 173.360 174.600 0.037 0.000 0.991 212 S CA -0.963 57.254 58.200 0.027 0.000 0.858 212 S CB -0.037 63.172 63.200 0.015 0.000 1.068 212 S HN 0.635 nan 8.310 nan 0.000 0.458 213 L N 3.246 124.481 121.223 0.020 0.000 2.700 213 L HA 0.232 4.572 4.340 -0.000 0.000 0.272 213 L C 0.159 177.037 176.870 0.013 0.000 1.176 213 L CA 0.637 55.493 54.840 0.026 0.000 0.961 213 L CB -0.148 41.920 42.059 0.016 0.000 1.249 213 L HN 0.772 nan 8.230 nan 0.000 0.487 214 L N 3.011 124.248 121.223 0.023 0.000 2.354 214 L HA 0.701 5.041 4.340 -0.000 0.000 0.269 214 L C 0.258 177.127 176.870 -0.002 0.000 1.005 214 L CA -0.454 54.373 54.840 -0.022 0.000 0.819 214 L CB 2.041 44.044 42.059 -0.093 0.000 1.311 214 L HN 0.599 nan 8.230 nan 0.000 0.423 215 G N 0.543 109.332 108.800 -0.019 0.000 2.339 215 G HA2 0.406 4.366 3.960 -0.000 0.000 0.287 215 G HA3 0.406 4.366 3.960 -0.000 0.000 0.287 215 G C 0.535 175.418 174.900 -0.029 0.000 1.163 215 G CA 0.124 45.222 45.100 -0.004 0.000 0.872 215 G HN 0.785 nan 8.290 nan 0.000 0.464 216 T N -1.776 112.755 114.554 -0.039 0.000 3.044 216 T HA 0.425 4.775 4.350 -0.000 0.000 0.260 216 T C 0.784 175.392 174.700 -0.153 0.000 1.019 216 T CA 0.346 62.379 62.100 -0.111 0.000 0.921 216 T CB 0.019 68.789 68.868 -0.164 0.000 1.053 216 T HN 1.167 nan 8.240 nan 0.000 0.533 217 S N -0.724 114.946 115.700 -0.051 0.000 2.578 217 S HA 0.630 5.100 4.470 -0.000 0.000 0.272 217 S C 0.248 174.907 174.600 0.098 0.000 1.145 217 S CA -0.286 57.925 58.200 0.017 0.000 0.835 217 S CB 1.006 64.230 63.200 0.038 0.000 1.104 217 S HN 1.437 nan 8.310 nan 0.000 0.458 218 G N 1.867 110.748 108.800 0.136 0.000 2.682 218 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.256 218 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.256 218 G C 0.733 175.595 174.900 -0.063 0.000 1.333 218 G CA 0.395 45.544 45.100 0.081 0.000 0.904 218 G HN 1.210 nan 8.290 nan 0.000 0.569 219 M N -1.219 118.228 119.600 -0.256 0.000 2.103 219 M HA -0.208 4.272 4.480 -0.000 0.000 0.255 219 M C 2.358 178.599 176.300 -0.099 0.000 1.074 219 M CA 2.706 57.836 55.300 -0.283 0.000 1.090 219 M CB -0.534 31.829 32.600 -0.395 0.000 1.325 219 M HN 0.749 nan 8.290 nan 0.000 0.403 220 E N 0.220 120.399 120.200 -0.034 0.000 2.113 220 E HA -0.246 4.104 4.350 -0.000 0.000 0.210 220 E C 2.094 178.695 176.600 0.002 0.000 1.040 220 E CA 2.301 58.711 56.400 0.017 0.000 0.847 220 E CB -0.282 29.476 29.700 0.096 0.000 0.755 220 E HN 0.415 nan 8.360 nan 0.000 0.459 221 S N -1.495 114.204 115.700 -0.000 0.000 2.395 221 S HA -0.017 4.453 4.470 -0.000 0.000 0.225 221 S C 2.080 176.675 174.600 -0.009 0.000 1.027 221 S CA 1.167 59.362 58.200 -0.008 0.000 0.965 221 S CB -0.287 62.908 63.200 -0.008 0.000 0.812 221 S HN 0.242 nan 8.310 nan 0.000 0.482 222 S N 0.877 116.566 115.700 -0.018 0.000 2.402 222 S HA 0.143 4.613 4.470 -0.000 0.000 0.229 222 S C 0.722 175.322 174.600 0.000 0.000 1.021 222 S CA 0.742 58.936 58.200 -0.010 0.000 0.974 222 S CB -0.152 63.020 63.200 -0.046 0.000 0.800 222 S HN 0.360 nan 8.310 nan 0.000 0.484 223 L N 1.817 123.035 121.223 -0.008 0.000 2.984 223 L HA 0.363 4.703 4.340 -0.000 0.000 0.246 223 L C 1.119 177.986 176.870 -0.005 0.000 1.268 223 L CA -0.044 54.798 54.840 0.004 0.000 1.054 223 L CB -0.899 41.172 42.059 0.020 0.000 1.393 223 L HN 0.116 nan 8.230 nan 0.000 0.532 224 N N 0.189 118.885 118.700 -0.007 0.000 2.022 224 N HA -0.235 4.505 4.740 -0.000 0.000 0.194 224 N C 2.134 177.638 175.510 -0.010 0.000 1.057 224 N CA 1.938 54.980 53.050 -0.013 0.000 0.849 224 N CB 0.178 38.652 38.487 -0.020 0.000 1.044 224 N HN 0.343 nan 8.380 nan 0.000 0.424 225 S N 0.413 116.110 115.700 -0.005 0.000 2.381 225 S HA -0.237 4.233 4.470 -0.000 0.000 0.230 225 S C 2.107 176.711 174.600 0.007 0.000 1.052 225 S CA 1.666 59.867 58.200 0.002 0.000 1.068 225 S CB -1.188 62.021 63.200 0.015 0.000 0.918 225 S HN 0.447 nan 8.310 nan 0.000 0.448 226 I N 1.364 121.939 120.570 0.009 0.000 2.163 226 I HA -0.172 3.998 4.170 -0.000 0.000 0.243 226 I C 2.622 178.739 176.117 0.000 0.000 1.085 226 I CA 1.493 62.797 61.300 0.007 0.000 1.347 226 I CB -0.473 37.526 38.000 -0.002 0.000 1.044 226 I HN 0.300 nan 8.210 nan 0.000 0.408 227 L N 0.353 121.572 121.223 -0.008 0.000 2.072 227 L HA -0.114 4.226 4.340 -0.000 0.000 0.205 227 L C 2.729 179.588 176.870 -0.019 0.000 1.079 227 L CA 1.227 56.056 54.840 -0.018 0.000 0.752 227 L CB -0.546 41.497 42.059 -0.028 0.000 0.906 227 L HN 0.217 nan 8.230 nan 0.000 0.436 228 A N -0.429 122.381 122.820 -0.016 0.000 2.067 228 A HA 0.237 4.557 4.320 -0.000 0.000 0.217 228 A C 1.560 179.138 177.584 -0.011 0.000 1.156 228 A CA 0.889 52.916 52.037 -0.016 0.000 0.683 228 A CB -0.639 18.348 19.000 -0.021 0.000 0.808 228 A HN 0.493 nan 8.150 nan 0.000 0.455 229 G N -1.127 107.670 108.800 -0.006 0.000 2.574 229 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.282 229 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.282 229 G C 0.098 174.997 174.900 -0.003 0.000 1.257 229 G CA 0.406 45.505 45.100 -0.002 0.000 0.956 229 G HN 1.168 nan 8.290 nan 0.000 0.560 230 T N 0.411 114.964 114.554 -0.001 0.000 2.916 230 T HA 0.636 4.986 4.350 -0.000 0.000 0.292 230 T C -0.870 173.830 174.700 -0.001 0.000 1.055 230 T CA -0.529 61.570 62.100 -0.002 0.000 1.009 230 T CB 2.197 71.065 68.868 -0.000 0.000 1.118 230 T HN 0.601 nan 8.240 nan 0.000 0.497 231 D N 0.458 120.858 120.400 -0.001 0.000 2.340 231 D HA 0.534 5.174 4.640 -0.000 0.000 0.251 231 D C 0.208 176.510 176.300 0.004 0.000 1.080 231 D CA -0.173 53.828 54.000 0.000 0.000 0.971 231 D CB 1.264 42.063 40.800 -0.002 0.000 1.137 231 D HN 0.744 nan 8.370 nan 0.000 0.475 232 G N -0.505 108.299 108.800 0.007 0.000 2.415 232 G HA2 0.550 4.510 3.960 -0.000 0.000 0.317 232 G HA3 0.550 4.510 3.960 -0.000 0.000 0.317 232 G C -0.101 174.804 174.900 0.009 0.000 1.152 232 G CA -0.370 44.736 45.100 0.010 0.000 0.956 232 G HN 0.551 nan 8.290 nan 0.000 0.458 233 I N 3.164 123.739 120.570 0.008 0.000 2.325 233 I HA 0.744 4.914 4.170 -0.000 0.000 0.291 233 I C -0.037 176.086 176.117 0.010 0.000 1.019 233 I CA -0.971 60.333 61.300 0.008 0.000 1.302 233 I CB 0.433 38.436 38.000 0.005 0.000 1.401 233 I HN 0.562 nan 8.210 nan 0.000 0.485 234 I N 5.612 126.189 120.570 0.012 0.000 2.411 234 I HA 0.454 4.624 4.170 -0.000 0.000 0.284 234 I C 0.258 176.382 176.117 0.012 0.000 1.012 234 I CA -0.741 60.568 61.300 0.014 0.000 1.119 234 I CB 1.946 39.958 38.000 0.019 0.000 1.261 234 I HN 0.751 nan 8.210 nan 0.000 0.448 235 T N 2.599 117.159 114.554 0.011 0.000 2.770 235 T HA 0.733 5.083 4.350 -0.000 0.000 0.283 235 T C -0.360 174.346 174.700 0.011 0.000 0.988 235 T CA -0.255 61.851 62.100 0.010 0.000 0.957 235 T CB 0.696 69.568 68.868 0.007 0.000 0.930 235 T HN 0.484 nan 8.240 nan 0.000 0.443 243 N N 1.103 119.809 118.700 0.009 0.000 2.407 243 N HA 0.487 5.227 4.740 -0.000 0.000 0.277 243 N C -0.427 175.088 175.510 0.008 0.000 0.995 243 N CA -0.513 52.542 53.050 0.010 0.000 0.903 243 N CB 1.396 39.890 38.487 0.011 0.000 1.218 243 N HN 0.342 nan 8.380 nan 0.000 0.487 244 I N 2.678 123.253 120.570 0.008 0.000 2.720 244 I HA 0.009 4.179 4.170 -0.000 0.000 0.287 244 I C 1.747 177.868 176.117 0.007 0.000 1.090 244 I CA -0.602 60.702 61.300 0.007 0.000 1.384 244 I CB 1.159 39.163 38.000 0.006 0.000 1.420 244 I HN 0.314 nan 8.210 nan 0.000 0.575 245 V N 5.649 125.567 119.914 0.006 0.000 2.227 245 V HA -0.113 4.007 4.120 -0.000 0.000 0.238 245 V C -0.482 175.615 176.094 0.006 0.000 1.039 245 V CA 1.289 63.593 62.300 0.006 0.000 0.990 245 V CB -2.088 29.738 31.823 0.005 0.000 0.635 245 V HN 0.820 nan 8.190 nan 0.000 0.453 246 P HA -0.091 nan 4.420 nan 0.000 0.231 246 P C 1.630 178.933 177.300 0.006 0.000 1.158 246 P CA 1.558 64.661 63.100 0.005 0.000 0.763 246 P CB -0.427 31.276 31.700 0.004 0.000 0.805 247 G N 0.824 109.627 108.800 0.006 0.000 2.631 247 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 247 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 247 G C 1.047 175.952 174.900 0.008 0.000 1.214 247 G CA 1.592 46.696 45.100 0.007 0.000 0.785 247 G HN 0.564 nan 8.290 nan 0.000 0.596 248 T N 0.069 114.629 114.554 0.009 0.000 2.828 248 T HA 0.445 4.795 4.350 -0.000 0.000 0.282 248 T C 0.231 174.936 174.700 0.009 0.000 1.031 248 T CA 1.861 63.967 62.100 0.010 0.000 1.136 248 T CB -0.624 68.250 68.868 0.010 0.000 1.057 248 T HN 1.521 nan 8.240 nan 0.000 0.499 249 E N 1.643 121.849 120.200 0.010 0.000 2.431 249 E HA 0.555 4.905 4.350 -0.000 0.000 0.287 249 E C -1.267 175.339 176.600 0.009 0.000 1.032 249 E CA -0.684 55.721 56.400 0.009 0.000 0.839 249 E CB 0.794 30.498 29.700 0.007 0.000 1.218 249 E HN 0.873 nan 8.360 nan 0.000 0.424 250 L N 2.263 123.492 121.223 0.009 0.000 2.719 250 L HA 0.574 4.914 4.340 -0.000 0.000 0.236 250 L C 0.829 177.704 176.870 0.007 0.000 1.221 250 L CA -0.343 54.502 54.840 0.009 0.000 1.048 250 L CB 0.541 42.606 42.059 0.010 0.000 1.364 250 L HN 1.163 nan 8.230 nan 0.000 0.447 251 V N 2.545 122.463 119.914 0.007 0.000 2.864 251 V HA -0.173 3.947 4.120 -0.000 0.000 0.275 251 V C 1.461 177.557 176.094 0.004 0.000 0.972 251 V CA 0.979 63.282 62.300 0.005 0.000 1.176 251 V CB -1.145 30.681 31.823 0.005 0.000 0.838 251 V HN 0.962 nan 8.190 nan 0.000 0.454 252 S N 2.373 118.075 115.700 0.003 0.000 3.201 252 S HA -0.222 4.248 4.470 -0.000 0.000 0.396 252 S C 0.329 174.931 174.600 0.003 0.000 0.902 252 S CA 1.663 59.864 58.200 0.002 0.000 1.213 252 S CB -1.086 62.114 63.200 0.001 0.000 0.852 252 S HN 1.381 nan 8.310 nan 0.000 0.447 253 Q N 0.050 119.852 119.800 0.004 0.000 2.444 253 Q HA 0.516 4.856 4.340 -0.000 0.000 0.251 253 Q C -0.330 175.675 176.000 0.007 0.000 0.939 253 Q CA 0.264 56.070 55.803 0.005 0.000 0.740 253 Q CB 1.679 30.419 28.738 0.004 0.000 1.308 253 Q HN 0.748 nan 8.270 nan 0.000 0.461 254 Q N 1.366 121.170 119.800 0.007 0.000 2.560 254 Q HA 0.408 4.748 4.340 -0.000 0.000 0.238 254 Q C 0.087 176.093 176.000 0.010 0.000 1.079 254 Q CA -0.655 55.153 55.803 0.010 0.000 0.866 254 Q CB 0.238 28.982 28.738 0.009 0.000 1.153 254 Q HN 0.513 nan 8.270 nan 0.000 0.530 255 T N 1.739 116.300 114.554 0.012 0.000 2.164 255 T HA 0.006 4.356 4.350 -0.000 0.000 0.184 255 T C 0.346 175.054 174.700 0.012 0.000 1.084 255 T CA 1.146 63.253 62.100 0.012 0.000 2.212 255 T CB -1.026 67.852 68.868 0.018 0.000 0.932 255 T HN 0.934 nan 8.240 nan 0.000 0.386 256 V N 4.054 123.973 119.914 0.008 0.000 2.325 256 V HA 0.225 4.345 4.120 -0.000 0.000 0.280 256 V C 0.298 176.396 176.094 0.007 0.000 1.016 256 V CA -1.364 60.940 62.300 0.008 0.000 0.818 256 V CB 1.378 33.203 31.823 0.003 0.000 1.019 256 V HN 0.737 nan 8.190 nan 0.000 0.434 257 D N 3.976 124.383 120.400 0.012 0.000 2.586 257 D HA 0.071 4.711 4.640 -0.000 0.000 0.234 257 D C 0.968 177.273 176.300 0.007 0.000 1.132 257 D CA 0.819 54.826 54.000 0.013 0.000 0.860 257 D CB 1.424 42.239 40.800 0.025 0.000 1.159 257 D HN 0.721 nan 8.370 nan 0.000 0.490 258 G N 2.439 111.241 108.800 0.002 0.000 2.690 258 G HA2 0.032 3.992 3.960 -0.000 0.000 0.239 258 G HA3 0.032 3.992 3.960 -0.000 0.000 0.239 258 G C 0.147 175.051 174.900 0.008 0.000 1.233 258 G CA -0.505 44.596 45.100 0.000 0.000 0.847 258 G HN 0.370 nan 8.290 nan 0.000 0.588 259 K N 0.651 121.056 120.400 0.009 0.000 2.154 259 K HA 0.213 4.533 4.320 -0.000 0.000 0.264 259 K C -0.433 176.205 176.600 0.062 0.000 1.008 259 K CA -0.545 55.759 56.287 0.028 0.000 0.937 259 K CB 0.905 33.411 32.500 0.011 0.000 1.002 259 K HN 0.394 nan 8.250 nan 0.000 0.469 260 D N 0.935 121.427 120.400 0.153 0.000 2.329 260 D HA 0.199 4.839 4.640 -0.000 0.000 0.246 260 D C -0.609 175.791 176.300 0.168 0.000 1.111 260 D CA -0.166 53.921 54.000 0.146 0.000 0.941 260 D CB 1.502 42.522 40.800 0.366 0.000 1.169 260 D HN 0.026 nan 8.370 nan 0.000 0.441 261 V N 2.335 122.275 119.914 0.042 0.000 2.447 261 V HA 0.125 4.245 4.120 -0.000 0.000 0.292 261 V C -1.011 175.123 176.094 0.066 0.000 1.021 261 V CA -0.831 61.530 62.300 0.101 0.000 0.850 261 V CB 0.723 32.575 31.823 0.048 0.000 1.005 261 V HN 0.352 nan 8.190 nan 0.000 0.426 262 Y N 3.438 123.867 120.300 0.214 0.000 2.404 262 Y HA 0.417 4.967 4.550 -0.000 0.000 0.344 262 Y C 1.450 177.439 175.900 0.148 0.000 0.995 262 Y CA -0.194 58.029 58.100 0.205 0.000 1.201 262 Y CB 1.043 39.576 38.460 0.122 0.000 1.151 262 Y HN 0.810 nan 8.280 nan 0.000 0.517 263 T N -2.056 112.643 114.554 0.241 0.000 3.018 263 T HA 0.140 4.490 4.350 -0.000 0.000 0.338 263 T C 1.296 176.140 174.700 0.239 0.000 1.208 263 T CA 0.393 62.636 62.100 0.237 0.000 0.963 263 T CB 0.582 69.605 68.868 0.258 0.000 1.697 263 T HN 0.624 nan 8.240 nan 0.000 0.560 264 T N -2.251 112.460 114.554 0.262 0.000 2.969 264 T HA 0.333 4.683 4.350 -0.000 0.000 0.250 264 T C 0.823 175.661 174.700 0.231 0.000 1.021 264 T CA -0.447 61.792 62.100 0.233 0.000 1.003 264 T CB -0.606 68.403 68.868 0.235 0.000 1.040 264 T HN 0.441 nan 8.240 nan 0.000 0.492 265 L N 2.786 124.164 121.223 0.257 0.000 2.543 265 L HA 0.194 4.534 4.340 -0.000 0.000 0.285 265 L C 0.710 177.702 176.870 0.203 0.000 1.236 265 L CA -0.067 54.903 54.840 0.216 0.000 0.871 265 L CB 0.300 42.499 42.059 0.234 0.000 1.121 265 L HN 0.187 nan 8.230 nan 0.000 0.501 266 S N 1.016 116.812 115.700 0.161 0.000 2.474 266 S HA 0.215 4.685 4.470 -0.000 0.000 0.320 266 S C 1.107 175.825 174.600 0.196 0.000 1.067 266 S CA -0.679 57.621 58.200 0.167 0.000 1.127 266 S CB 0.939 64.218 63.200 0.131 0.000 0.971 266 S HN 0.698 nan 8.310 nan 0.000 0.472 267 S N 6.471 122.343 115.700 0.286 0.000 2.380 267 S HA -0.114 4.356 4.470 -0.000 0.000 0.229 267 S C -0.721 174.090 174.600 0.352 0.000 1.050 267 S CA 1.884 60.341 58.200 0.429 0.000 1.100 267 S CB -1.079 62.303 63.200 0.304 0.000 0.984 267 S HN 0.776 nan 8.310 nan 0.000 0.434 268 P HA -0.014 nan 4.420 nan 0.000 0.220 268 P C 1.384 178.806 177.300 0.203 0.000 1.148 268 P CA 0.831 64.040 63.100 0.183 0.000 0.803 268 P CB 0.013 31.782 31.700 0.115 0.000 0.782 269 L N 0.134 121.458 121.223 0.168 0.000 2.068 269 L HA -0.050 4.290 4.340 -0.000 0.000 0.204 269 L C 2.863 179.776 176.870 0.071 0.000 1.076 269 L CA 1.811 56.731 54.840 0.134 0.000 0.753 269 L CB -1.734 40.354 42.059 0.049 0.000 0.910 269 L HN -0.092 nan 8.230 nan 0.000 0.439 270 Q N -1.037 118.767 119.800 0.006 0.000 2.124 270 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 270 Q C 2.231 178.133 176.000 -0.164 0.000 0.977 270 Q CA 2.194 57.863 55.803 -0.224 0.000 0.850 270 Q CB -0.256 28.121 28.738 -0.601 0.000 0.901 270 Q HN 0.423 nan 8.270 nan 0.000 0.429 271 S N -0.188 115.613 115.700 0.169 0.000 2.345 271 S HA -0.090 4.380 4.470 -0.000 0.000 0.220 271 S C 1.373 176.128 174.600 0.258 0.000 1.031 271 S CA 1.044 59.450 58.200 0.344 0.000 0.996 271 S CB -0.630 62.822 63.200 0.420 0.000 0.882 271 S HN 0.580 nan 8.310 nan 0.000 0.445 272 F N 2.523 122.517 119.950 0.074 0.000 2.091 272 F HA -0.133 4.394 4.527 -0.000 0.000 0.299 272 F C 2.210 178.031 175.800 0.035 0.000 1.103 272 F CA 1.804 59.828 58.000 0.040 0.000 1.228 272 F CB -0.918 38.085 39.000 0.005 0.000 0.984 272 F HN 0.218 nan 8.300 nan 0.000 0.477 273 M N 0.028 119.522 119.600 -0.177 0.000 2.149 273 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 273 M C 2.026 178.310 176.300 -0.027 0.000 1.064 273 M CA 1.891 57.054 55.300 -0.229 0.000 1.102 273 M CB -0.376 32.133 32.600 -0.153 0.000 1.369 273 M HN 0.102 nan 8.290 nan 0.000 0.408 274 E N -0.005 120.203 120.200 0.012 0.000 2.017 274 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 274 E C 1.999 178.654 176.600 0.092 0.000 0.997 274 E CA 2.029 58.461 56.400 0.052 0.000 0.804 274 E CB -0.854 28.897 29.700 0.084 0.000 0.757 274 E HN 0.537 nan 8.360 nan 0.000 0.448 275 T N 2.055 116.692 114.554 0.139 0.000 2.624 275 T HA -0.233 4.117 4.350 -0.000 0.000 0.266 275 T C 1.822 176.617 174.700 0.158 0.000 1.050 275 T CA 1.863 64.071 62.100 0.179 0.000 1.163 275 T CB -0.125 68.936 68.868 0.322 0.000 0.861 275 T HN 0.138 nan 8.240 nan 0.000 0.443 276 Q N 0.040 119.911 119.800 0.119 0.000 1.942 276 Q HA -0.026 4.314 4.340 -0.000 0.000 0.203 276 Q C 2.372 178.516 176.000 0.240 0.000 0.987 276 Q CA 1.290 57.200 55.803 0.179 0.000 0.844 276 Q CB -0.858 27.943 28.738 0.104 0.000 0.911 276 Q HN 0.426 nan 8.270 nan 0.000 0.423 277 M N 1.754 121.478 119.600 0.205 0.000 2.146 277 M HA -0.208 4.272 4.480 -0.000 0.000 0.256 277 M C 1.145 177.465 176.300 0.032 0.000 1.075 277 M CA 1.639 56.939 55.300 0.000 0.000 1.082 277 M CB -0.433 32.142 32.600 -0.042 0.000 1.355 277 M HN 0.111 nan 8.290 nan 0.000 0.402 278 D N -0.530 119.905 120.400 0.058 0.000 2.117 278 D HA -0.044 4.596 4.640 -0.000 0.000 0.198 278 D C 1.934 178.264 176.300 0.051 0.000 0.982 278 D CA 1.649 55.672 54.000 0.038 0.000 0.828 278 D CB -0.277 40.551 40.800 0.047 0.000 0.967 278 D HN 0.501 nan 8.370 nan 0.000 0.464 279 A N 0.599 123.478 122.820 0.099 0.000 1.933 279 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 279 A C 2.010 179.681 177.584 0.144 0.000 1.175 279 A CA 0.905 53.009 52.037 0.112 0.000 0.628 279 A CB -0.805 18.280 19.000 0.142 0.000 0.814 279 A HN 0.214 nan 8.150 nan 0.000 0.444 280 F N 0.036 119.964 119.950 -0.037 0.000 2.206 280 F HA -0.025 4.502 4.527 -0.000 0.000 0.298 280 F C 1.742 177.479 175.800 -0.105 0.000 1.090 280 F CA 1.093 59.035 58.000 -0.096 0.000 1.323 280 F CB -0.356 38.483 39.000 -0.269 0.000 1.028 280 F HN 0.204 nan 8.300 nan 0.000 0.492 281 L N 0.334 121.468 121.223 -0.147 0.000 2.141 281 L HA -0.105 4.235 4.340 -0.000 0.000 0.209 281 L C 2.231 179.002 176.870 -0.165 0.000 1.094 281 L CA 1.753 56.459 54.840 -0.224 0.000 0.763 281 L CB -0.973 41.011 42.059 -0.126 0.000 0.908 281 L HN 0.005 nan 8.230 nan 0.000 0.437 282 E N 0.293 120.442 120.200 -0.086 0.000 2.015 282 E HA -0.256 4.094 4.350 -0.000 0.000 0.191 282 E C 2.248 178.808 176.600 -0.066 0.000 0.991 282 E CA 1.281 57.647 56.400 -0.057 0.000 0.802 282 E CB -0.211 29.478 29.700 -0.018 0.000 0.759 282 E HN 0.468 nan 8.360 nan 0.000 0.447 283 K N 0.263 120.628 120.400 -0.058 0.000 2.160 283 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 283 K C 1.897 178.450 176.600 -0.079 0.000 1.047 283 K CA 1.782 58.035 56.287 -0.055 0.000 0.930 283 K CB 0.133 32.632 32.500 -0.003 0.000 0.720 283 K HN 0.175 nan 8.250 nan 0.000 0.450 284 V N -4.002 115.803 119.914 -0.181 0.000 3.562 284 V HA 0.183 4.303 4.120 -0.000 0.000 0.270 284 V C -0.467 175.530 176.094 -0.160 0.000 1.418 284 V CA -0.595 61.609 62.300 -0.160 0.000 1.033 284 V CB 0.233 31.872 31.823 -0.308 0.000 0.820 284 V HN 0.056 nan 8.190 nan 0.000 0.441 285 K N 2.212 122.498 120.400 -0.190 0.000 4.444 285 K HA -0.166 4.154 4.320 -0.000 0.000 0.281 285 K C 0.579 177.073 176.600 -0.177 0.000 0.817 285 K CA 1.144 57.334 56.287 -0.163 0.000 0.793 285 K CB -1.826 30.615 32.500 -0.099 0.000 1.784 285 K HN 0.913 nan 8.250 nan 0.000 0.424 286 G N 1.625 110.300 108.800 -0.209 0.000 2.372 286 G HA2 0.181 4.141 3.960 -0.000 0.000 0.283 286 G HA3 0.181 4.141 3.960 -0.000 0.000 0.283 286 G C 1.131 175.915 174.900 -0.194 0.000 1.177 286 G CA -0.753 44.244 45.100 -0.173 0.000 0.842 286 G HN 0.155 nan 8.290 nan 0.000 0.503 287 K N 0.469 120.735 120.400 -0.224 0.000 2.207 287 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 287 K C -0.297 175.883 176.600 -0.701 0.000 1.046 287 K CA 1.564 57.591 56.287 -0.432 0.000 0.929 287 K CB -0.310 31.961 32.500 -0.381 0.000 0.720 287 K HN 0.573 nan 8.250 nan 0.000 0.463 288 Y N -1.401 118.838 120.300 -0.102 0.000 2.482 288 Y HA 0.337 4.887 4.550 -0.000 0.000 0.334 288 Y C 0.204 176.027 175.900 -0.127 0.000 1.091 288 Y CA -1.109 56.921 58.100 -0.117 0.000 1.027 288 Y CB 1.469 39.852 38.460 -0.129 0.000 1.306 288 Y HN -0.226 nan 8.280 nan 0.000 0.446 289 M N 1.338 120.969 119.600 0.050 0.000 2.796 289 M HA 0.816 5.296 4.480 -0.000 0.000 0.303 289 M C -0.692 175.576 176.300 -0.053 0.000 1.240 289 M CA -0.631 54.649 55.300 -0.033 0.000 0.831 289 M CB 2.039 34.589 32.600 -0.084 0.000 1.750 289 M HN 0.694 nan 8.290 nan 0.000 0.484 290 T N 0.307 114.816 114.554 -0.075 0.000 2.774 290 T HA 0.705 5.055 4.350 -0.000 0.000 0.325 290 T C -1.998 172.664 174.700 -0.063 0.000 1.753 290 T CA -0.694 61.342 62.100 -0.106 0.000 1.024 290 T CB 2.057 70.805 68.868 -0.200 0.000 1.628 290 T HN 0.981 nan 8.240 nan 0.000 0.497 291 A N 1.507 124.306 122.820 -0.035 0.000 2.540 291 A HA 0.631 4.951 4.320 -0.000 0.000 0.315 291 A C -0.903 176.711 177.584 0.049 0.000 1.037 291 A CA -0.707 51.384 52.037 0.090 0.000 0.940 291 A CB 0.924 20.132 19.000 0.347 0.000 1.262 291 A HN 0.691 nan 8.150 nan 0.000 0.377 292 T N 2.357 116.946 114.554 0.058 0.000 2.886 292 T HA 0.649 4.999 4.350 -0.000 0.000 0.292 292 T C -0.793 173.964 174.700 0.095 0.000 1.012 292 T CA -0.391 61.738 62.100 0.048 0.000 0.982 292 T CB 1.592 70.484 68.868 0.040 0.000 1.018 292 T HN 0.879 nan 8.240 nan 0.000 0.451 293 L N 3.894 125.151 121.223 0.057 0.000 2.298 293 L HA 0.767 5.107 4.340 -0.000 0.000 0.284 293 L C -1.202 175.748 176.870 0.134 0.000 1.013 293 L CA -0.587 54.295 54.840 0.071 0.000 0.824 293 L CB 0.609 42.653 42.059 -0.026 0.000 1.221 293 L HN 0.425 nan 8.230 nan 0.000 0.418 294 V N 2.896 122.921 119.914 0.185 0.000 2.769 294 V HA 0.374 4.494 4.120 -0.000 0.000 0.312 294 V C 0.127 176.362 176.094 0.235 0.000 1.058 294 V CA -0.642 61.778 62.300 0.201 0.000 0.952 294 V CB 1.977 33.913 31.823 0.189 0.000 1.019 294 V HN 0.756 nan 8.190 nan 0.000 0.445 295 S N 2.002 117.824 115.700 0.204 0.000 2.409 295 S HA 0.471 4.941 4.470 -0.000 0.000 0.308 295 S C 1.108 175.747 174.600 0.066 0.000 1.080 295 S CA 0.034 58.312 58.200 0.129 0.000 1.081 295 S CB 0.604 63.873 63.200 0.115 0.000 1.009 295 S HN 0.960 nan 8.310 nan 0.000 0.502 296 A N 6.609 129.448 122.820 0.031 0.000 1.842 296 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 296 A C 2.248 179.840 177.584 0.014 0.000 1.206 296 A CA 1.483 53.537 52.037 0.029 0.000 0.630 296 A CB -0.648 18.355 19.000 0.006 0.000 0.839 296 A HN 0.785 nan 8.150 nan 0.000 0.447 297 K N -0.998 119.387 120.400 -0.024 0.000 2.207 297 K HA -0.229 4.091 4.320 -0.000 0.000 0.208 297 K C 1.952 178.559 176.600 0.011 0.000 1.046 297 K CA 2.157 58.435 56.287 -0.016 0.000 0.929 297 K CB -0.783 31.691 32.500 -0.044 0.000 0.720 297 K HN 0.760 nan 8.250 nan 0.000 0.463 298 T N -3.376 111.192 114.554 0.023 0.000 2.955 298 T HA 0.231 4.581 4.350 -0.000 0.000 0.251 298 T C 0.917 175.658 174.700 0.068 0.000 1.002 298 T CA 1.027 63.153 62.100 0.044 0.000 0.970 298 T CB 0.511 69.405 68.868 0.043 0.000 1.091 298 T HN 0.342 nan 8.240 nan 0.000 0.495 299 G N 1.502 110.352 108.800 0.083 0.000 2.204 299 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.244 299 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.244 299 G C -0.485 174.501 174.900 0.144 0.000 1.062 299 G CA 0.013 45.180 45.100 0.113 0.000 0.798 299 G HN 0.656 nan 8.290 nan 0.000 0.496 300 E N -0.485 119.804 120.200 0.147 0.000 2.158 300 E HA 0.485 4.835 4.350 -0.000 0.000 0.271 300 E C 0.638 177.360 176.600 0.202 0.000 0.911 300 E CA -0.984 55.523 56.400 0.177 0.000 0.767 300 E CB 1.410 31.200 29.700 0.151 0.000 1.120 300 E HN 0.370 nan 8.360 nan 0.000 0.405 301 I N 4.928 125.643 120.570 0.242 0.000 2.471 301 I HA -0.048 4.122 4.170 -0.000 0.000 0.294 301 I C 0.999 177.230 176.117 0.190 0.000 1.123 301 I CA 0.241 61.667 61.300 0.209 0.000 1.336 301 I CB 0.093 38.223 38.000 0.218 0.000 1.430 301 I HN 0.543 nan 8.210 nan 0.000 0.533 302 L N 6.342 127.662 121.223 0.161 0.000 2.492 302 L HA 0.298 4.638 4.340 -0.000 0.000 0.223 302 L C 0.820 177.735 176.870 0.074 0.000 1.132 302 L CA 0.164 55.090 54.840 0.143 0.000 0.850 302 L CB -0.175 41.984 42.059 0.166 0.000 0.966 302 L HN 0.801 nan 8.230 nan 0.000 0.454 303 A N -0.520 122.318 122.820 0.030 0.000 2.483 303 A HA 0.493 4.813 4.320 -0.000 0.000 0.315 303 A C -0.562 176.972 177.584 -0.083 0.000 1.027 303 A CA -0.336 51.670 52.037 -0.051 0.000 0.996 303 A CB 0.743 19.698 19.000 -0.076 0.000 1.288 303 A HN -0.072 nan 8.150 nan 0.000 0.371 304 T N 0.178 114.647 114.554 -0.142 0.000 2.903 304 T HA 0.913 5.263 4.350 -0.000 0.000 0.299 304 T C -0.648 173.958 174.700 -0.155 0.000 1.093 304 T CA 0.340 62.339 62.100 -0.169 0.000 1.002 304 T CB 2.065 70.744 68.868 -0.315 0.000 1.127 304 T HN 2.126 nan 8.240 nan 0.000 0.488 305 T N 1.561 116.049 114.554 -0.109 0.000 2.827 305 T HA 0.564 4.914 4.350 -0.000 0.000 0.328 305 T C -2.245 172.420 174.700 -0.059 0.000 1.598 305 T CA -0.574 61.480 62.100 -0.076 0.000 1.043 305 T CB 1.676 70.507 68.868 -0.061 0.000 1.447 305 T HN 1.053 nan 8.240 nan 0.000 0.491 306 Q N 2.434 122.211 119.800 -0.038 0.000 2.456 306 Q HA 0.791 5.130 4.340 -0.000 0.000 0.284 306 Q C -1.490 174.512 176.000 0.003 0.000 1.061 306 Q CA -1.289 54.494 55.803 -0.033 0.000 0.799 306 Q CB 1.891 30.605 28.738 -0.039 0.000 1.445 306 Q HN 0.408 nan 8.270 nan 0.000 0.411 307 R N 1.377 121.890 120.500 0.020 0.000 2.621 307 R HA 0.562 4.902 4.340 -0.000 0.000 0.292 307 R C -2.692 173.676 176.300 0.113 0.000 0.969 307 R CA -1.964 54.160 56.100 0.039 0.000 0.887 307 R CB 2.008 32.299 30.300 -0.015 0.000 1.180 307 R HN 0.633 nan 8.270 nan 0.000 0.450 308 P HA 0.118 nan 4.420 nan 0.000 0.280 308 P C -0.152 177.271 177.300 0.204 0.000 1.244 308 P CA -0.065 63.104 63.100 0.115 0.000 0.784 308 P CB 1.250 33.015 31.700 0.107 0.000 0.913 309 T N 0.616 115.269 114.554 0.164 0.000 2.765 309 T HA 0.802 5.152 4.350 -0.000 0.000 0.251 309 T C -0.175 174.645 174.700 0.201 0.000 1.027 309 T CA -0.529 61.673 62.100 0.170 0.000 1.030 309 T CB 0.512 69.361 68.868 -0.033 0.000 1.935 309 T HN 0.503 nan 8.240 nan 0.000 0.563 310 F N -1.231 118.693 119.950 -0.043 0.000 2.708 310 F HA 0.482 5.009 4.527 -0.000 0.000 0.309 310 F C -1.157 174.587 175.800 -0.092 0.000 1.120 310 F CA -1.388 56.514 58.000 -0.163 0.000 0.978 310 F CB 0.919 39.666 39.000 -0.423 0.000 1.283 310 F HN 0.578 nan 8.300 nan 0.000 0.439 311 N N 2.418 121.154 118.700 0.060 0.000 2.400 311 N HA 0.163 4.903 4.740 -0.000 0.000 0.267 311 N C 1.084 176.664 175.510 0.117 0.000 1.208 311 N CA 0.852 53.910 53.050 0.014 0.000 0.951 311 N CB 1.645 40.154 38.487 0.035 0.000 1.227 311 N HN 0.993 nan 8.380 nan 0.000 0.488 312 A N 3.823 126.598 122.820 -0.074 0.000 1.958 312 A HA -0.242 4.078 4.320 -0.000 0.000 0.221 312 A C 1.774 179.299 177.584 -0.097 0.000 1.178 312 A CA 1.929 53.964 52.037 -0.002 0.000 0.642 312 A CB -0.369 18.508 19.000 -0.205 0.000 0.816 312 A HN 0.753 nan 8.150 nan 0.000 0.453 313 D N -0.939 119.455 120.400 -0.010 0.000 2.121 313 D HA -0.092 4.548 4.640 -0.000 0.000 0.209 313 D C 2.095 178.408 176.300 0.021 0.000 0.981 313 D CA 2.286 56.304 54.000 0.030 0.000 0.875 313 D CB -0.240 40.618 40.800 0.096 0.000 1.016 313 D HN 0.433 nan 8.370 nan 0.000 0.452 314 T N -1.481 113.091 114.554 0.030 0.000 3.228 314 T HA -0.031 4.319 4.350 -0.000 0.000 0.261 314 T C 0.638 175.336 174.700 -0.004 0.000 1.171 314 T CA 0.236 62.345 62.100 0.015 0.000 1.056 314 T CB -0.228 68.649 68.868 0.015 0.000 0.938 314 T HN 0.047 nan 8.240 nan 0.000 0.539 315 K N 0.436 120.837 120.400 0.002 0.000 3.013 315 K HA -0.212 4.108 4.320 -0.000 0.000 0.275 315 K C 0.147 176.688 176.600 -0.099 0.000 1.086 315 K CA 1.091 57.333 56.287 -0.075 0.000 0.814 315 K CB -2.060 30.362 32.500 -0.130 0.000 1.212 315 K HN 0.916 nan 8.250 nan 0.000 0.468 316 E N 0.227 120.415 120.200 -0.021 0.000 2.360 316 E HA 0.294 4.644 4.350 -0.000 0.000 0.269 316 E C 1.204 177.779 176.600 -0.043 0.000 1.022 316 E CA 0.848 57.225 56.400 -0.039 0.000 0.887 316 E CB 0.240 29.934 29.700 -0.009 0.000 0.990 316 E HN 0.363 nan 8.360 nan 0.000 0.426 317 G N 4.216 112.959 108.800 -0.094 0.000 2.195 317 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.224 317 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.224 317 G C 0.182 174.906 174.900 -0.294 0.000 0.990 317 G CA 0.022 45.062 45.100 -0.099 0.000 0.639 317 G HN 0.553 nan 8.290 nan 0.000 0.514 318 I N 2.952 123.237 120.570 -0.475 0.000 2.307 318 I HA 0.443 4.613 4.170 -0.000 0.000 0.289 318 I C 0.951 176.817 176.117 -0.419 0.000 1.021 318 I CA 0.103 60.883 61.300 -0.867 0.000 1.224 318 I CB 1.304 38.653 38.000 -1.085 0.000 1.376 318 I HN 0.308 nan 8.210 nan 0.000 0.470 319 T N 0.905 115.311 114.554 -0.246 0.000 2.938 319 T HA 0.258 4.608 4.350 -0.000 0.000 0.285 319 T C 0.945 175.636 174.700 -0.014 0.000 1.028 319 T CA -0.656 61.391 62.100 -0.088 0.000 1.005 319 T CB 2.116 70.967 68.868 -0.029 0.000 1.157 319 T HN 0.592 nan 8.240 nan 0.000 0.550 320 E N 0.863 121.069 120.200 0.010 0.000 2.086 320 E HA -0.220 4.130 4.350 -0.000 0.000 0.200 320 E C 0.522 177.168 176.600 0.076 0.000 1.012 320 E CA 1.864 58.292 56.400 0.046 0.000 0.812 320 E CB -0.320 29.398 29.700 0.030 0.000 0.743 320 E HN 0.834 nan 8.360 nan 0.000 0.453 321 D N -0.092 120.342 120.400 0.057 0.000 3.168 321 D HA -0.013 4.627 4.640 -0.000 0.000 0.255 321 D C -0.565 175.769 176.300 0.057 0.000 1.314 321 D CA -0.443 53.589 54.000 0.055 0.000 0.900 321 D CB -0.987 39.829 40.800 0.027 0.000 1.072 321 D HN -0.007 nan 8.370 nan 0.000 0.487 322 F N 1.225 121.099 119.950 -0.127 0.000 2.405 322 F HA 0.295 4.822 4.527 -0.000 0.000 0.355 322 F C -0.407 175.252 175.800 -0.235 0.000 1.121 322 F CA -1.094 56.746 58.000 -0.266 0.000 1.112 322 F CB 1.343 40.011 39.000 -0.554 0.000 1.126 322 F HN -0.164 nan 8.300 nan 0.000 0.481 323 V N 7.975 127.417 119.914 -0.787 0.000 2.370 323 V HA -0.121 3.999 4.120 -0.000 0.000 0.257 323 V C -0.059 175.500 176.094 -0.892 0.000 1.064 323 V CA -0.165 61.803 62.300 -0.554 0.000 0.975 323 V CB -0.267 31.379 31.823 -0.293 0.000 1.067 323 V HN 0.916 nan 8.190 nan 0.000 0.485 324 W N 3.080 124.075 121.300 -0.508 0.000 3.310 324 W HA 0.161 4.821 4.660 -0.000 0.000 0.259 324 W C 1.413 177.838 176.519 -0.157 0.000 1.324 324 W CA -0.493 56.713 57.345 -0.231 0.000 1.636 324 W CB -0.149 29.345 29.460 0.057 0.000 1.104 324 W HN 0.407 nan 8.180 nan 0.000 0.722 325 R N 2.451 122.919 120.500 -0.053 0.000 2.522 325 R HA -0.055 4.285 4.340 -0.000 0.000 0.284 325 R C -0.391 175.806 176.300 -0.172 0.000 1.032 325 R CA 0.425 56.445 56.100 -0.133 0.000 1.049 325 R CB 0.293 30.472 30.300 -0.203 0.000 0.956 325 R HN -0.122 nan 8.270 nan 0.000 0.422 326 D N 5.639 125.888 120.400 -0.251 0.000 2.412 326 D HA 0.102 4.742 4.640 -0.000 0.000 0.224 326 D C 1.405 177.495 176.300 -0.351 0.000 1.093 326 D CA -0.348 53.508 54.000 -0.240 0.000 0.850 326 D CB 0.801 41.449 40.800 -0.253 0.000 1.046 326 D HN 0.589 nan 8.370 nan 0.000 0.507 327 I N 3.093 123.509 120.570 -0.258 0.000 2.208 327 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 327 I C 2.265 178.285 176.117 -0.160 0.000 1.097 327 I CA 0.626 61.759 61.300 -0.279 0.000 1.363 327 I CB -0.132 37.687 38.000 -0.302 0.000 1.051 327 I HN 0.399 nan 8.210 nan 0.000 0.413 328 L N 0.889 122.090 121.223 -0.036 0.000 2.556 328 L HA -0.225 4.115 4.340 -0.000 0.000 0.230 328 L C 1.192 178.247 176.870 0.308 0.000 1.163 328 L CA 1.837 56.740 54.840 0.105 0.000 0.819 328 L CB -0.653 41.475 42.059 0.115 0.000 0.939 328 L HN 0.621 nan 8.230 nan 0.000 0.452 329 Y N -4.686 115.622 120.300 0.014 0.000 3.147 329 Y HA 0.336 4.886 4.550 -0.000 0.000 0.322 329 Y C 0.295 176.168 175.900 -0.045 0.000 0.956 329 Y CA -0.787 57.347 58.100 0.058 0.000 1.205 329 Y CB -1.065 37.536 38.460 0.235 0.000 1.401 329 Y HN 0.162 nan 8.280 nan 0.000 0.565 330 Q N 1.778 121.196 119.800 -0.638 0.000 2.470 330 Q HA 0.578 4.918 4.340 -0.000 0.000 0.389 330 Q C -0.792 174.381 176.000 -1.379 0.000 0.888 330 Q CA -0.288 54.773 55.803 -1.237 0.000 1.106 330 Q CB 1.393 29.602 28.738 -0.882 0.000 1.368 330 Q HN 0.268 nan 8.270 nan 0.000 0.403 331 S N 0.657 115.803 115.700 -0.924 0.000 2.583 331 S HA 0.302 4.772 4.470 -0.000 0.000 0.294 331 S C -1.915 172.701 174.600 0.026 0.000 1.121 331 S CA -0.778 57.177 58.200 -0.407 0.000 0.910 331 S CB 0.723 63.734 63.200 -0.316 0.000 1.102 331 S HN 0.314 nan 8.310 nan 0.000 0.451 332 N N 4.305 123.090 118.700 0.142 0.000 2.527 332 N HA 0.401 5.141 4.740 -0.000 0.000 0.236 332 N C -0.800 174.795 175.510 0.141 0.000 0.999 332 N CA -0.154 52.989 53.050 0.154 0.000 0.935 332 N CB 0.674 39.248 38.487 0.145 0.000 1.132 332 N HN 0.668 nan 8.380 nan 0.000 0.511 333 Y N -0.825 119.464 120.300 -0.019 0.000 2.675 333 Y HA 0.611 5.161 4.550 -0.000 0.000 0.328 333 Y C -0.204 175.683 175.900 -0.022 0.000 1.092 333 Y CA -1.525 56.557 58.100 -0.031 0.000 1.190 333 Y CB 0.832 39.264 38.460 -0.045 0.000 1.350 333 Y HN 0.110 nan 8.280 nan 0.000 0.525 334 E N 3.309 123.478 120.200 -0.051 0.000 2.073 334 E HA 0.215 4.565 4.350 -0.000 0.000 0.269 334 E C -1.984 174.567 176.600 -0.082 0.000 0.917 334 E CA -2.204 54.110 56.400 -0.144 0.000 0.757 334 E CB 1.367 31.035 29.700 -0.053 0.000 1.111 334 E HN 0.506 nan 8.360 nan 0.000 0.410 335 P HA -0.329 nan 4.420 nan 0.000 0.219 335 P C 0.984 178.296 177.300 0.019 0.000 1.161 335 P CA 2.252 65.319 63.100 -0.055 0.000 0.909 335 P CB 0.318 31.906 31.700 -0.187 0.000 0.793 336 G N -1.114 107.633 108.800 -0.088 0.000 2.650 336 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.264 336 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.264 336 G C 1.300 176.147 174.900 -0.088 0.000 1.263 336 G CA 0.647 45.676 45.100 -0.119 0.000 0.960 336 G HN 0.317 nan 8.290 nan 0.000 0.548 337 S N 1.219 116.899 115.700 -0.034 0.000 2.345 337 S HA 0.165 4.635 4.470 -0.000 0.000 0.219 337 S C 2.824 177.452 174.600 0.047 0.000 1.031 337 S CA 2.375 60.582 58.200 0.011 0.000 0.984 337 S CB -0.838 62.377 63.200 0.025 0.000 0.874 337 S HN 1.816 nan 8.310 nan 0.000 0.451 338 A N 1.467 124.342 122.820 0.092 0.000 2.054 338 A HA -0.240 4.080 4.320 -0.000 0.000 0.223 338 A C 2.041 179.673 177.584 0.080 0.000 1.169 338 A CA 2.120 54.250 52.037 0.156 0.000 0.655 338 A CB -0.712 18.410 19.000 0.202 0.000 0.812 338 A HN 0.449 nan 8.150 nan 0.000 0.462 339 M N -0.452 119.131 119.600 -0.028 0.000 2.476 339 M HA 0.006 4.486 4.480 -0.000 0.000 0.262 339 M C 1.588 177.886 176.300 -0.003 0.000 1.079 339 M CA 1.452 56.689 55.300 -0.105 0.000 1.104 339 M CB -0.479 32.016 32.600 -0.174 0.000 1.409 339 M HN 0.393 nan 8.290 nan 0.000 0.467 340 K N -0.957 119.462 120.400 0.031 0.000 2.097 340 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 340 K C 1.728 178.350 176.600 0.037 0.000 1.049 340 K CA 1.532 57.839 56.287 0.034 0.000 0.933 340 K CB -0.366 32.158 32.500 0.040 0.000 0.717 340 K HN 0.242 nan 8.250 nan 0.000 0.442 341 V N 1.152 121.111 119.914 0.074 0.000 2.380 341 V HA -0.281 3.839 4.120 -0.000 0.000 0.251 341 V C 2.160 178.298 176.094 0.075 0.000 1.063 341 V CA 1.674 64.024 62.300 0.083 0.000 1.055 341 V CB -0.400 31.502 31.823 0.131 0.000 0.657 341 V HN 0.301 nan 8.190 nan 0.000 0.455 342 M N -0.215 119.405 119.600 0.033 0.000 2.254 342 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 342 M C 2.116 178.498 176.300 0.137 0.000 1.066 342 M CA 1.743 56.996 55.300 -0.080 0.000 1.123 342 M CB -1.004 31.298 32.600 -0.498 0.000 1.388 342 M HN 0.333 nan 8.290 nan 0.000 0.425 343 T N 0.305 114.934 114.554 0.124 0.000 2.812 343 T HA -0.055 4.295 4.350 -0.000 0.000 0.264 343 T C 1.677 176.289 174.700 -0.147 0.000 1.042 343 T CA 1.099 63.090 62.100 -0.182 0.000 1.140 343 T CB -0.314 68.289 68.868 -0.442 0.000 0.870 343 T HN 0.282 nan 8.240 nan 0.000 0.445 344 L N 1.853 123.045 121.223 -0.051 0.000 2.027 344 L HA 0.168 4.508 4.340 -0.000 0.000 0.206 344 L C 2.562 179.432 176.870 0.001 0.000 1.074 344 L CA 1.919 56.752 54.840 -0.013 0.000 0.745 344 L CB -1.327 40.714 42.059 -0.031 0.000 0.898 344 L HN 0.191 nan 8.230 nan 0.000 0.433 345 A N -0.969 121.875 122.820 0.040 0.000 1.851 345 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 345 A C 2.385 179.978 177.584 0.015 0.000 1.195 345 A CA 2.234 54.316 52.037 0.075 0.000 0.622 345 A CB -1.287 17.838 19.000 0.209 0.000 0.831 345 A HN 0.530 nan 8.150 nan 0.000 0.444 346 S N -0.708 114.983 115.700 -0.015 0.000 2.500 346 S HA -0.073 4.397 4.470 -0.000 0.000 0.239 346 S C 2.145 176.465 174.600 -0.468 0.000 0.989 346 S CA 1.155 59.060 58.200 -0.493 0.000 0.951 346 S CB -0.238 62.694 63.200 -0.447 0.000 0.759 346 S HN 0.636 nan 8.310 nan 0.000 0.523 347 S N 0.891 116.495 115.700 -0.159 0.000 2.387 347 S HA 0.197 4.667 4.470 -0.000 0.000 0.221 347 S C 1.645 176.276 174.600 0.052 0.000 1.041 347 S CA 0.277 58.455 58.200 -0.037 0.000 0.959 347 S CB -0.145 63.073 63.200 0.031 0.000 0.843 347 S HN 0.467 nan 8.310 nan 0.000 0.488 348 I N 1.407 121.997 120.570 0.034 0.000 2.493 348 I HA -0.109 4.061 4.170 -0.000 0.000 0.254 348 I C 1.847 177.977 176.117 0.022 0.000 1.160 348 I CA 1.334 62.638 61.300 0.006 0.000 1.445 348 I CB -0.253 37.702 38.000 -0.075 0.000 1.086 348 I HN 0.329 nan 8.210 nan 0.000 0.433 349 D N 0.551 120.966 120.400 0.024 0.000 2.355 349 D HA -0.144 4.496 4.640 -0.000 0.000 0.218 349 D C 1.383 177.786 176.300 0.171 0.000 1.004 349 D CA 0.534 54.584 54.000 0.085 0.000 0.880 349 D CB 0.044 40.907 40.800 0.106 0.000 0.911 349 D HN 0.092 nan 8.370 nan 0.000 0.528 350 N N 0.119 118.919 118.700 0.165 0.000 2.235 350 N HA 0.015 4.755 4.740 -0.000 0.000 0.231 350 N C -0.206 175.384 175.510 0.133 0.000 1.177 350 N CA -0.139 53.043 53.050 0.220 0.000 0.874 350 N CB -0.237 38.448 38.487 0.329 0.000 1.097 350 N HN -0.075 nan 8.380 nan 0.000 0.518 351 N N 0.180 118.940 118.700 0.100 0.000 2.696 351 N HA -0.239 4.500 4.740 -0.000 0.000 0.254 351 N C 0.337 175.901 175.510 0.089 0.000 0.988 351 N CA 1.225 54.324 53.050 0.081 0.000 0.775 351 N CB -0.975 37.547 38.487 0.059 0.000 0.933 351 N HN 0.607 nan 8.380 nan 0.000 0.539 352 T N -3.740 110.879 114.554 0.108 0.000 3.608 352 T HA 0.179 4.529 4.350 -0.000 0.000 0.213 352 T C 0.711 175.490 174.700 0.132 0.000 0.897 352 T CA 0.221 62.368 62.100 0.078 0.000 1.533 352 T CB -0.617 68.278 68.868 0.045 0.000 1.504 352 T HN 0.283 nan 8.240 nan 0.000 0.446 353 F N 3.081 123.004 119.950 -0.045 0.000 2.034 353 F HA -0.091 4.436 4.527 -0.000 0.000 0.245 353 F C -2.465 173.306 175.800 -0.049 0.000 1.038 353 F CA -1.011 56.969 58.000 -0.034 0.000 0.899 353 F CB -1.102 37.889 39.000 -0.015 0.000 1.264 353 F HN 0.206 nan 8.300 nan 0.000 0.754 354 P HA 0.363 nan 4.420 nan 0.000 0.278 354 P C -0.924 176.202 177.300 -0.291 0.000 1.270 354 P CA 0.835 63.590 63.100 -0.574 0.000 0.800 354 P CB 0.636 31.643 31.700 -1.155 0.000 1.142 355 S N -3.221 112.301 115.700 -0.297 0.000 2.779 355 S HA 0.434 4.904 4.470 -0.000 0.000 0.311 355 S C 0.424 174.920 174.600 -0.173 0.000 0.807 355 S CA -0.171 58.002 58.200 -0.045 0.000 0.761 355 S CB -0.214 63.019 63.200 0.055 0.000 0.974 355 S HN 1.014 nan 8.310 nan 0.000 0.518 356 G N 3.227 111.868 108.800 -0.265 0.000 2.328 356 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.256 356 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.256 356 G C 0.817 175.606 174.900 -0.186 0.000 1.014 356 G CA 1.658 46.583 45.100 -0.292 0.000 0.620 356 G HN 1.426 nan 8.290 nan 0.000 0.530 357 E N -0.213 119.841 120.200 -0.244 0.000 2.060 357 E HA 0.053 4.403 4.350 -0.000 0.000 0.189 357 E C 2.106 178.588 176.600 -0.197 0.000 0.974 357 E CA 1.142 57.390 56.400 -0.253 0.000 0.808 357 E CB -0.375 29.086 29.700 -0.398 0.000 0.768 357 E HN 0.551 nan 8.360 nan 0.000 0.453 358 Y N 0.016 120.262 120.300 -0.091 0.000 2.173 358 Y HA -0.222 4.328 4.550 -0.000 0.000 0.282 358 Y C 1.637 177.688 175.900 0.253 0.000 1.192 358 Y CA 1.310 59.424 58.100 0.023 0.000 1.176 358 Y CB -0.533 37.936 38.460 0.016 0.000 0.969 358 Y HN 0.168 nan 8.280 nan 0.000 0.519 359 F N 0.969 120.969 119.950 0.084 0.000 2.802 359 F HA -0.051 4.476 4.527 -0.000 0.000 0.302 359 F C 1.809 177.609 175.800 0.000 0.000 1.211 359 F CA 0.014 58.038 58.000 0.039 0.000 1.431 359 F CB -1.258 37.761 39.000 0.033 0.000 1.114 359 F HN 0.394 nan 8.300 nan 0.000 0.567 360 N N -0.429 118.366 118.700 0.159 0.000 2.409 360 N HA -0.129 4.611 4.740 -0.000 0.000 0.174 360 N C 1.805 177.335 175.510 0.034 0.000 1.037 360 N CA 1.113 54.194 53.050 0.052 0.000 0.898 360 N CB -0.655 37.822 38.487 -0.018 0.000 1.010 360 N HN 0.207 nan 8.380 nan 0.000 0.445 361 S N 1.610 117.345 115.700 0.059 0.000 2.387 361 S HA -0.267 4.203 4.470 -0.000 0.000 0.230 361 S C 2.205 176.810 174.600 0.009 0.000 1.035 361 S CA 1.964 60.183 58.200 0.032 0.000 1.014 361 S CB -1.104 62.140 63.200 0.073 0.000 0.836 361 S HN 0.583 nan 8.310 nan 0.000 0.466 362 S N 1.764 117.470 115.700 0.010 0.000 2.400 362 S HA -0.317 4.153 4.470 -0.000 0.000 0.234 362 S C 1.861 176.451 174.600 -0.018 0.000 1.049 362 S CA 1.665 59.853 58.200 -0.021 0.000 1.039 362 S CB -1.049 62.130 63.200 -0.036 0.000 0.856 362 S HN 0.740 nan 8.310 nan 0.000 0.465 363 E N 0.887 121.081 120.200 -0.010 0.000 2.130 363 E HA -0.114 4.236 4.350 -0.000 0.000 0.196 363 E C 0.714 177.302 176.600 -0.019 0.000 0.998 363 E CA 1.114 57.506 56.400 -0.014 0.000 0.806 363 E CB -0.357 29.336 29.700 -0.013 0.000 0.738 363 E HN 0.688 nan 8.360 nan 0.000 0.459 396 S N 2.106 117.804 115.700 -0.004 0.000 2.655 396 S HA 0.188 4.658 4.470 -0.000 0.000 0.231 396 S C 1.369 175.940 174.600 -0.047 0.000 1.044 396 S CA 1.313 59.488 58.200 -0.042 0.000 0.910 396 S CB -0.314 62.849 63.200 -0.061 0.000 0.833 396 S HN 0.659 nan 8.310 nan 0.000 0.581 397 N N 0.066 118.746 118.700 -0.034 0.000 1.961 397 N HA -0.173 4.567 4.740 -0.000 0.000 0.215 397 N C 0.920 176.309 175.510 -0.202 0.000 0.579 397 N CA 2.151 55.168 53.050 -0.055 0.000 4.210 397 N CB -1.489 36.979 38.487 -0.031 0.000 0.734 397 N HN 0.463 nan 8.380 nan 0.000 0.239 398 V N 0.033 119.853 119.914 -0.156 0.000 3.570 398 V HA 0.320 4.440 4.120 -0.000 0.000 0.257 398 V C 2.218 178.231 176.094 -0.135 0.000 1.272 398 V CA 1.294 63.486 62.300 -0.181 0.000 1.079 398 V CB 0.549 32.309 31.823 -0.106 0.000 0.829 398 V HN 0.541 nan 8.190 nan 0.000 0.454 399 G N 0.229 108.981 108.800 -0.079 0.000 2.394 399 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.215 399 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.215 399 G C 1.478 176.336 174.900 -0.069 0.000 1.165 399 G CA 0.591 45.696 45.100 0.007 0.000 0.784 399 G HN 0.253 nan 8.290 nan 0.000 0.535 400 M N 2.324 121.847 119.600 -0.127 0.000 2.267 400 M HA -0.092 4.388 4.480 -0.000 0.000 0.263 400 M C 2.781 178.935 176.300 -0.244 0.000 1.063 400 M CA 1.576 56.777 55.300 -0.166 0.000 1.090 400 M CB -1.088 31.462 32.600 -0.084 0.000 1.392 400 M HN 0.443 nan 8.290 nan 0.000 0.422 401 S N -0.348 115.183 115.700 -0.282 0.000 2.436 401 S HA 0.008 4.478 4.470 -0.000 0.000 0.228 401 S C 1.912 176.373 174.600 -0.231 0.000 1.014 401 S CA 0.527 58.552 58.200 -0.293 0.000 0.950 401 S CB -0.503 62.474 63.200 -0.372 0.000 0.784 401 S HN 0.513 nan 8.310 nan 0.000 0.504 402 L N 0.398 121.498 121.223 -0.205 0.000 2.270 402 L HA 0.213 4.553 4.340 -0.000 0.000 0.210 402 L C 2.405 179.122 176.870 -0.255 0.000 1.104 402 L CA 0.411 55.125 54.840 -0.210 0.000 0.804 402 L CB -0.433 41.509 42.059 -0.195 0.000 0.937 402 L HN 0.305 nan 8.230 nan 0.000 0.450 403 L N -0.161 120.907 121.223 -0.259 0.000 2.046 403 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 403 L C 2.679 179.366 176.870 -0.306 0.000 1.077 403 L CA 1.199 55.865 54.840 -0.289 0.000 0.747 403 L CB -0.400 41.485 42.059 -0.291 0.000 0.896 403 L HN 0.315 nan 8.230 nan 0.000 0.432 404 E N -0.255 119.717 120.200 -0.379 0.000 2.216 404 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 404 E C 2.035 178.531 176.600 -0.172 0.000 0.988 404 E CA 0.640 56.818 56.400 -0.371 0.000 0.834 404 E CB 0.221 29.609 29.700 -0.520 0.000 0.772 404 E HN 0.349 nan 8.360 nan 0.000 0.479 405 Q N 0.536 120.233 119.800 -0.173 0.000 2.230 405 Q HA -0.051 4.289 4.340 -0.000 0.000 0.202 405 Q C 1.738 177.674 176.000 -0.105 0.000 0.963 405 Q CA 0.978 56.707 55.803 -0.123 0.000 0.866 405 Q CB 0.044 28.696 28.738 -0.143 0.000 0.931 405 Q HN 0.176 nan 8.270 nan 0.000 0.452 406 K N -0.822 119.500 120.400 -0.130 0.000 2.334 406 K HA 0.155 4.475 4.320 -0.000 0.000 0.195 406 K C 1.816 178.388 176.600 -0.046 0.000 1.045 406 K CA -0.000 56.224 56.287 -0.105 0.000 1.004 406 K CB 0.235 32.641 32.500 -0.158 0.000 0.837 406 K HN 0.087 nan 8.250 nan 0.000 0.510 407 M N 0.039 119.619 119.600 -0.032 0.000 2.388 407 M HA 0.086 4.566 4.480 -0.000 0.000 0.265 407 M C -0.014 176.347 176.300 0.103 0.000 1.088 407 M CA 1.077 56.409 55.300 0.054 0.000 1.134 407 M CB 0.488 33.124 32.600 0.059 0.000 1.384 407 M HN 0.167 nan 8.290 nan 0.000 0.447 408 G N 1.412 110.255 108.800 0.071 0.000 2.767 408 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.686 408 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.686 408 G C -0.540 174.458 174.900 0.163 0.000 1.213 408 G CA -0.272 44.883 45.100 0.092 0.000 0.803 408 G HN 0.526 nan 8.290 nan 0.000 0.603 409 D N 0.827 121.311 120.400 0.140 0.000 2.390 409 D HA 0.137 4.777 4.640 -0.000 0.000 0.235 409 D C 1.878 178.268 176.300 0.149 0.000 1.040 409 D CA 1.230 55.337 54.000 0.178 0.000 0.923 409 D CB 0.139 41.013 40.800 0.122 0.000 0.886 409 D HN 0.761 nan 8.370 nan 0.000 0.532 410 A N 0.582 123.483 122.820 0.135 0.000 1.982 410 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 410 A C 2.299 179.953 177.584 0.116 0.000 1.457 410 A CA 0.719 52.811 52.037 0.092 0.000 0.654 410 A CB -0.626 18.411 19.000 0.063 0.000 1.150 410 A HN 0.117 nan 8.150 nan 0.000 0.509 411 T N -0.472 114.169 114.554 0.146 0.000 2.653 411 T HA -0.260 4.090 4.350 -0.000 0.000 0.268 411 T C 1.665 176.600 174.700 0.392 0.000 1.035 411 T CA 1.579 63.787 62.100 0.180 0.000 1.154 411 T CB -0.556 68.462 68.868 0.251 0.000 0.862 411 T HN 0.605 nan 8.240 nan 0.000 0.441 412 W N 1.707 123.135 121.300 0.214 0.000 2.332 412 W HA -0.150 4.510 4.660 -0.000 0.000 0.321 412 W C 2.130 178.775 176.519 0.210 0.000 1.219 412 W CA 0.456 57.950 57.345 0.247 0.000 1.277 412 W CB -0.407 29.130 29.460 0.128 0.000 1.161 412 W HN 0.112 nan 8.180 nan 0.000 0.476 413 L N 1.596 122.850 121.223 0.052 0.000 2.081 413 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 413 L C 1.994 178.812 176.870 -0.088 0.000 1.080 413 L CA 2.894 57.653 54.840 -0.136 0.000 0.754 413 L CB -1.640 40.398 42.059 -0.033 0.000 0.893 413 L HN 0.097 nan 8.230 nan 0.000 0.433 414 D N -1.163 119.223 120.400 -0.023 0.000 2.087 414 D HA -0.297 4.343 4.640 -0.000 0.000 0.192 414 D C 2.080 178.350 176.300 -0.049 0.000 0.993 414 D CA 1.660 55.620 54.000 -0.068 0.000 0.828 414 D CB -0.274 40.445 40.800 -0.135 0.000 0.968 414 D HN 0.310 nan 8.370 nan 0.000 0.448 415 Y N 0.506 120.832 120.300 0.044 0.000 2.132 415 Y HA -0.239 4.311 4.550 -0.000 0.000 0.280 415 Y C 2.363 178.346 175.900 0.138 0.000 1.193 415 Y CA 1.271 59.446 58.100 0.125 0.000 1.157 415 Y CB -0.615 38.020 38.460 0.291 0.000 0.966 415 Y HN 0.120 nan 8.280 nan 0.000 0.511 416 L N -0.404 120.825 121.223 0.010 0.000 1.961 416 L HA -0.284 4.056 4.340 -0.000 0.000 0.210 416 L C 2.757 179.736 176.870 0.182 0.000 1.072 416 L CA 2.056 56.914 54.840 0.031 0.000 0.749 416 L CB -1.269 40.623 42.059 -0.279 0.000 0.889 416 L HN 0.176 nan 8.230 nan 0.000 0.432 417 K N 0.489 120.919 120.400 0.051 0.000 2.189 417 K HA -0.284 4.036 4.320 -0.000 0.000 0.207 417 K C 2.130 178.752 176.600 0.036 0.000 1.046 417 K CA 2.276 58.585 56.287 0.036 0.000 0.928 417 K CB -1.072 31.424 32.500 -0.008 0.000 0.720 417 K HN 0.313 nan 8.250 nan 0.000 0.458 418 R N -1.847 118.678 120.500 0.042 0.000 2.115 418 R HA 0.110 4.450 4.340 -0.000 0.000 0.226 418 R C 1.589 177.852 176.300 -0.060 0.000 1.100 418 R CA 1.155 57.232 56.100 -0.038 0.000 0.980 418 R CB -0.169 30.086 30.300 -0.075 0.000 0.875 418 R HN 0.500 nan 8.270 nan 0.000 0.445 419 F N 0.960 120.922 119.950 0.021 0.000 2.804 419 F HA 0.134 4.661 4.527 -0.000 0.000 0.303 419 F C 0.775 176.390 175.800 -0.308 0.000 1.154 419 F CA 0.589 58.540 58.000 -0.081 0.000 1.401 419 F CB 0.293 39.358 39.000 0.109 0.000 1.106 419 F HN -0.059 nan 8.300 nan 0.000 0.568 420 K N -1.825 118.566 120.400 -0.016 0.000 3.529 420 K HA -0.257 4.063 4.320 -0.000 0.000 0.313 420 K C 0.093 176.631 176.600 -0.104 0.000 1.316 420 K CA 0.408 56.648 56.287 -0.079 0.000 0.988 420 K CB -2.117 30.314 32.500 -0.114 0.000 1.252 420 K HN 0.175 nan 8.250 nan 0.000 0.438 421 F N 0.972 120.928 119.950 0.010 0.000 2.626 421 F HA 0.101 4.628 4.527 -0.000 0.000 0.354 421 F C 1.967 177.743 175.800 -0.040 0.000 1.168 421 F CA 2.021 59.995 58.000 -0.044 0.000 1.368 421 F CB 0.297 39.235 39.000 -0.103 0.000 1.092 421 F HN 0.286 nan 8.300 nan 0.000 0.612 422 G N 0.440 109.332 108.800 0.152 0.000 2.217 422 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.246 422 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.246 422 G C -0.561 174.370 174.900 0.051 0.000 0.990 422 G CA -0.019 45.128 45.100 0.078 0.000 0.627 422 G HN 0.711 nan 8.290 nan 0.000 0.522 423 V N 1.548 121.486 119.914 0.041 0.000 2.577 423 V HA 0.533 4.653 4.120 -0.000 0.000 0.303 423 V C -2.167 173.943 176.094 0.027 0.000 1.042 423 V CA -1.712 60.608 62.300 0.032 0.000 0.872 423 V CB 2.220 34.058 31.823 0.026 0.000 0.998 423 V HN 0.085 nan 8.190 nan 0.000 0.423 424 P HA -0.002 nan 4.420 nan 0.000 0.266 424 P C 1.149 178.473 177.300 0.040 0.000 1.186 424 P CA 0.506 63.646 63.100 0.067 0.000 0.767 424 P CB 0.516 32.278 31.700 0.103 0.000 0.820 425 T N 0.430 114.989 114.554 0.008 0.000 2.812 425 T HA -0.102 4.248 4.350 -0.000 0.000 0.264 425 T C 0.716 175.465 174.700 0.080 0.000 1.042 425 T CA 0.392 62.481 62.100 -0.018 0.000 1.140 425 T CB -0.596 68.177 68.868 -0.158 0.000 0.870 425 T HN 0.461 nan 8.240 nan 0.000 0.445 426 R N 0.634 121.227 120.500 0.155 0.000 3.418 426 R HA -0.120 4.220 4.340 -0.000 0.000 0.274 426 R C 0.437 176.957 176.300 0.367 0.000 1.108 426 R CA 0.484 56.735 56.100 0.252 0.000 0.741 426 R CB -2.779 27.617 30.300 0.161 0.000 1.223 426 R HN 0.640 nan 8.270 nan 0.000 0.434 427 F N -1.765 118.252 119.950 0.113 0.000 2.771 427 F HA 0.328 4.855 4.527 -0.000 0.000 0.299 427 F C 1.302 177.197 175.800 0.157 0.000 1.177 427 F CA 0.724 58.797 58.000 0.122 0.000 1.450 427 F CB -0.273 38.828 39.000 0.169 0.000 1.114 427 F HN 0.260 nan 8.300 nan 0.000 0.587 428 G N 0.635 109.579 108.800 0.241 0.000 3.154 428 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.114 428 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.114 428 G C -0.206 174.715 174.900 0.035 0.000 2.421 428 G CA -0.309 44.837 45.100 0.077 0.000 1.271 428 G HN 0.228 nan 8.290 nan 0.000 0.371 429 L N 3.442 124.548 121.223 -0.195 0.000 2.720 429 L HA 0.141 4.481 4.340 -0.000 0.000 0.289 429 L C 1.451 178.368 176.870 0.079 0.000 1.232 429 L CA 0.880 55.593 54.840 -0.211 0.000 0.915 429 L CB -0.327 41.330 42.059 -0.669 0.000 1.184 429 L HN 0.677 nan 8.230 nan 0.000 0.491 430 T N -0.807 113.823 114.554 0.126 0.000 2.926 430 T HA 0.161 4.511 4.350 -0.000 0.000 0.307 430 T C 0.183 175.059 174.700 0.294 0.000 1.059 430 T CA -0.454 61.754 62.100 0.180 0.000 1.122 430 T CB 0.829 69.767 68.868 0.116 0.000 0.972 430 T HN 0.717 nan 8.240 nan 0.000 0.545 431 D N -0.787 119.767 120.400 0.257 0.000 2.760 431 D HA -0.121 4.519 4.640 -0.000 0.000 0.244 431 D C -0.211 176.359 176.300 0.451 0.000 1.096 431 D CA 0.785 54.954 54.000 0.280 0.000 0.716 431 D CB -0.986 39.962 40.800 0.247 0.000 1.075 431 D HN 0.848 nan 8.370 nan 0.000 0.434 432 E N -0.215 120.252 120.200 0.445 0.000 2.319 432 E HA 0.317 4.667 4.350 -0.000 0.000 0.268 432 E C -0.301 176.573 176.600 0.457 0.000 1.050 432 E CA -0.628 56.114 56.400 0.571 0.000 0.878 432 E CB 0.635 30.612 29.700 0.462 0.000 1.066 432 E HN 0.083 nan 8.360 nan 0.000 0.406 433 Y N 0.590 120.992 120.300 0.169 0.000 2.335 433 Y HA 0.322 4.872 4.550 -0.000 0.000 0.323 433 Y C 0.893 176.840 175.900 0.079 0.000 1.224 433 Y CA -0.293 57.866 58.100 0.097 0.000 1.241 433 Y CB 1.629 40.132 38.460 0.070 0.000 1.235 433 Y HN 0.676 nan 8.280 nan 0.000 0.492 434 A N 1.774 124.662 122.820 0.114 0.000 1.887 434 A HA 0.442 4.762 4.320 -0.000 0.000 0.212 434 A C 1.237 178.874 177.584 0.088 0.000 1.198 434 A CA 0.966 53.048 52.037 0.075 0.000 0.628 434 A CB -1.037 17.974 19.000 0.018 0.000 0.847 434 A HN 1.354 nan 8.150 nan 0.000 0.449 435 G N -1.769 107.088 108.800 0.095 0.000 2.796 435 G HA2 0.049 4.009 3.960 -0.000 0.000 0.571 435 G HA3 0.049 4.009 3.960 -0.000 0.000 0.571 435 G C -0.522 174.401 174.900 0.039 0.000 1.370 435 G CA 0.072 45.214 45.100 0.069 0.000 0.856 435 G HN 0.952 nan 8.290 nan 0.000 0.538 436 Q N -1.042 118.766 119.800 0.015 0.000 2.295 436 Q HA 0.568 4.908 4.340 -0.000 0.000 0.268 436 Q C -0.217 175.774 176.000 -0.015 0.000 1.010 436 Q CA -1.056 54.750 55.803 0.004 0.000 0.856 436 Q CB 1.292 30.030 28.738 0.000 0.000 1.349 436 Q HN 0.645 nan 8.270 nan 0.000 0.412 437 L N 4.714 125.930 121.223 -0.011 0.000 2.439 437 L HA 0.346 4.686 4.340 -0.000 0.000 0.269 437 L C -1.692 175.157 176.870 -0.036 0.000 1.179 437 L CA -1.065 53.753 54.840 -0.036 0.000 0.828 437 L CB -0.422 41.621 42.059 -0.027 0.000 1.106 437 L HN 0.690 nan 8.230 nan 0.000 0.467 438 P HA -0.018 nan 4.420 nan 0.000 0.271 438 P C -0.516 176.784 177.300 -0.000 0.000 1.228 438 P CA -0.304 62.786 63.100 -0.017 0.000 0.797 438 P CB 0.471 32.170 31.700 -0.002 0.000 0.914 439 A N 0.705 123.534 122.820 0.015 0.000 2.366 439 A HA 0.040 4.360 4.320 -0.000 0.000 0.250 439 A C 0.869 178.467 177.584 0.023 0.000 1.099 439 A CA -0.012 52.036 52.037 0.018 0.000 0.794 439 A CB -0.561 18.454 19.000 0.025 0.000 1.056 439 A HN 0.531 nan 8.150 nan 0.000 0.499 440 D N -0.641 119.771 120.400 0.021 0.000 2.504 440 D HA 0.110 4.750 4.640 -0.000 0.000 0.243 440 D C 0.051 176.368 176.300 0.028 0.000 1.203 440 D CA 0.241 54.255 54.000 0.023 0.000 0.847 440 D CB -0.724 40.087 40.800 0.018 0.000 0.973 440 D HN 0.640 nan 8.370 nan 0.000 0.490 441 N N -1.634 117.087 118.700 0.034 0.000 2.328 441 N HA 0.201 4.941 4.740 -0.000 0.000 0.299 441 N C 1.429 176.968 175.510 0.048 0.000 1.179 441 N CA -0.910 52.162 53.050 0.037 0.000 0.793 441 N CB 1.144 39.651 38.487 0.034 0.000 1.366 441 N HN -0.068 nan 8.380 nan 0.000 0.493 442 I N -1.335 119.261 120.570 0.044 0.000 2.163 442 I HA -0.234 3.936 4.170 -0.000 0.000 0.243 442 I C 1.138 177.292 176.117 0.061 0.000 1.085 442 I CA 1.273 62.602 61.300 0.049 0.000 1.347 442 I CB -0.692 37.328 38.000 0.033 0.000 1.044 442 I HN 0.358 nan 8.210 nan 0.000 0.408 443 V N 1.489 121.437 119.914 0.055 0.000 2.255 443 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 443 V C 2.765 178.915 176.094 0.094 0.000 1.051 443 V CA 2.327 64.668 62.300 0.068 0.000 1.018 443 V CB -1.316 30.542 31.823 0.059 0.000 0.641 443 V HN 0.494 nan 8.190 nan 0.000 0.445 444 S N 0.568 116.316 115.700 0.080 0.000 2.392 444 S HA -0.218 4.252 4.470 -0.000 0.000 0.225 444 S C 1.908 176.572 174.600 0.108 0.000 1.041 444 S CA 2.297 60.545 58.200 0.080 0.000 1.100 444 S CB -0.551 62.682 63.200 0.055 0.000 1.029 444 S HN 0.530 nan 8.310 nan 0.000 0.424 445 I N 2.006 122.643 120.570 0.112 0.000 2.151 445 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 445 I C 2.721 178.995 176.117 0.262 0.000 1.080 445 I CA 1.380 62.785 61.300 0.175 0.000 1.339 445 I CB -0.678 37.419 38.000 0.162 0.000 1.039 445 I HN 0.297 nan 8.210 nan 0.000 0.409 446 A N -0.044 122.885 122.820 0.181 0.000 1.978 446 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 446 A C 2.267 179.990 177.584 0.231 0.000 1.170 446 A CA 1.712 53.835 52.037 0.143 0.000 0.636 446 A CB -0.539 18.501 19.000 0.066 0.000 0.810 446 A HN 0.545 nan 8.150 nan 0.000 0.448 447 Q N -0.360 119.612 119.800 0.287 0.000 2.269 447 Q HA -0.051 4.289 4.340 -0.000 0.000 0.201 447 Q C 2.011 178.163 176.000 0.254 0.000 0.946 447 Q CA 1.040 57.112 55.803 0.448 0.000 0.877 447 Q CB -0.045 28.844 28.738 0.251 0.000 0.963 447 Q HN 0.799 nan 8.270 nan 0.000 0.472 448 S N -0.123 115.710 115.700 0.223 0.000 2.653 448 S HA -0.056 4.414 4.470 -0.000 0.000 0.233 448 S C 1.618 176.499 174.600 0.468 0.000 0.970 448 S CA 0.841 59.149 58.200 0.181 0.000 0.947 448 S CB -0.101 63.157 63.200 0.097 0.000 0.771 448 S HN 0.319 nan 8.310 nan 0.000 0.538 449 S N 1.042 117.049 115.700 0.512 0.000 2.497 449 S HA 0.229 4.699 4.470 -0.000 0.000 0.221 449 S C 0.811 175.547 174.600 0.226 0.000 1.037 449 S CA -0.459 57.959 58.200 0.364 0.000 0.920 449 S CB -0.791 62.234 63.200 -0.292 0.000 0.800 449 S HN 0.795 nan 8.310 nan 0.000 0.505 450 F N 0.153 120.093 119.950 -0.018 0.000 2.928 450 F HA 0.779 5.306 4.527 -0.000 0.000 0.337 450 F C 1.072 176.847 175.800 -0.041 0.000 1.259 450 F CA -0.302 57.667 58.000 -0.052 0.000 1.267 450 F CB 0.456 39.410 39.000 -0.077 0.000 0.986 450 F HN 0.292 nan 8.300 nan 0.000 0.507 451 G N 0.073 108.735 108.800 -0.229 0.000 2.284 451 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.230 451 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.230 451 G C 0.182 174.880 174.900 -0.337 0.000 1.021 451 G CA 0.092 45.012 45.100 -0.300 0.000 0.619 451 G HN 0.460 nan 8.290 nan 0.000 0.510 452 Q N -0.168 119.333 119.800 -0.499 0.000 2.195 452 Q HA 0.565 4.905 4.340 -0.000 0.000 0.250 452 Q C 1.339 177.257 176.000 -0.136 0.000 0.988 452 Q CA 0.154 55.788 55.803 -0.282 0.000 0.911 452 Q CB 0.939 29.458 28.738 -0.366 0.000 1.258 452 Q HN 1.521 nan 8.270 nan 0.000 0.475 453 G N 0.191 108.977 108.800 -0.023 0.000 2.245 453 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.264 453 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.264 453 G C 0.071 174.949 174.900 -0.037 0.000 0.985 453 G CA 0.603 45.706 45.100 0.004 0.000 0.625 453 G HN 0.556 nan 8.290 nan 0.000 0.536 454 I N 1.387 121.901 120.570 -0.093 0.000 2.545 454 I HA 0.658 4.828 4.170 -0.000 0.000 0.292 454 I C 0.039 176.061 176.117 -0.158 0.000 1.040 454 I CA -0.424 60.798 61.300 -0.131 0.000 1.068 454 I CB 2.043 39.918 38.000 -0.208 0.000 1.251 454 I HN 0.321 nan 8.210 nan 0.000 0.424 455 S N 7.395 123.021 115.700 -0.125 0.000 2.451 455 S HA 0.792 5.262 4.470 -0.000 0.000 0.301 455 S C -0.496 174.016 174.600 -0.146 0.000 1.116 455 S CA -0.490 57.624 58.200 -0.144 0.000 1.093 455 S CB 1.534 64.698 63.200 -0.059 0.000 1.017 455 S HN 0.696 nan 8.310 nan 0.000 0.482 456 V N -0.279 119.463 119.914 -0.287 0.000 3.155 456 V HA 0.965 5.085 4.120 -0.000 0.000 0.313 456 V C -0.223 175.771 176.094 -0.166 0.000 1.162 456 V CA -0.590 61.610 62.300 -0.166 0.000 1.048 456 V CB 1.312 33.059 31.823 -0.127 0.000 1.092 456 V HN 1.152 nan 8.190 nan 0.000 0.447 457 T N -1.409 113.169 114.554 0.039 0.000 2.841 457 T HA 0.413 4.763 4.350 -0.000 0.000 0.283 457 T C 0.659 175.494 174.700 0.224 0.000 1.000 457 T CA -0.576 61.631 62.100 0.180 0.000 0.977 457 T CB 1.863 70.825 68.868 0.156 0.000 0.979 457 T HN 0.736 nan 8.240 nan 0.000 0.446 458 Q N 1.748 121.740 119.800 0.320 0.000 2.124 458 Q HA -0.270 4.070 4.340 -0.000 0.000 0.215 458 Q C 2.393 178.504 176.000 0.186 0.000 1.015 458 Q CA 2.933 58.890 55.803 0.256 0.000 0.890 458 Q CB -1.358 27.431 28.738 0.085 0.000 0.966 458 Q HN 1.047 nan 8.270 nan 0.000 0.412 459 T N -1.548 113.042 114.554 0.059 0.000 2.701 459 T HA -0.170 4.180 4.350 -0.000 0.000 0.263 459 T C 1.896 176.546 174.700 -0.084 0.000 1.040 459 T CA 1.278 63.330 62.100 -0.081 0.000 1.147 459 T CB -0.371 68.281 68.868 -0.361 0.000 0.865 459 T HN 0.285 nan 8.240 nan 0.000 0.426 460 Q N 0.146 119.902 119.800 -0.074 0.000 2.118 460 Q HA -0.158 4.181 4.340 -0.000 0.000 0.211 460 Q C 2.522 178.382 176.000 -0.233 0.000 0.998 460 Q CA 1.837 57.546 55.803 -0.156 0.000 0.872 460 Q CB -0.373 28.328 28.738 -0.062 0.000 0.925 460 Q HN 0.488 nan 8.270 nan 0.000 0.414 461 M N 0.153 119.694 119.600 -0.097 0.000 2.091 461 M HA -0.158 4.322 4.480 -0.000 0.000 0.259 461 M C 2.388 178.468 176.300 -0.366 0.000 1.076 461 M CA 1.425 56.544 55.300 -0.302 0.000 1.111 461 M CB -1.134 31.319 32.600 -0.245 0.000 1.291 461 M HN 0.282 nan 8.290 nan 0.000 0.417 462 L N -0.474 120.725 121.223 -0.039 0.000 2.034 462 L HA -0.321 4.019 4.340 -0.000 0.000 0.217 462 L C 2.772 179.713 176.870 0.118 0.000 1.077 462 L CA 1.743 56.692 54.840 0.180 0.000 0.769 462 L CB -0.821 41.383 42.059 0.242 0.000 0.890 462 L HN 0.409 nan 8.230 nan 0.000 0.435 463 R N 0.111 120.611 120.500 -0.000 0.000 2.113 463 R HA -0.248 4.092 4.340 -0.000 0.000 0.231 463 R C 2.350 178.668 176.300 0.029 0.000 1.129 463 R CA 1.984 58.080 56.100 -0.007 0.000 0.915 463 R CB -0.455 29.793 30.300 -0.087 0.000 0.837 463 R HN 0.340 nan 8.270 nan 0.000 0.430 464 A N 0.740 123.528 122.820 -0.053 0.000 1.903 464 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 464 A C 2.114 179.864 177.584 0.276 0.000 1.191 464 A CA 1.727 53.833 52.037 0.116 0.000 0.638 464 A CB -1.004 17.965 19.000 -0.050 0.000 0.823 464 A HN 0.502 nan 8.150 nan 0.000 0.451 465 F N 1.304 121.292 119.950 0.064 0.000 2.225 465 F HA -0.224 4.303 4.527 -0.000 0.000 0.302 465 F C 2.932 178.767 175.800 0.059 0.000 1.068 465 F CA 1.592 59.617 58.000 0.042 0.000 1.327 465 F CB -1.382 37.610 39.000 -0.013 0.000 1.043 465 F HN 0.504 nan 8.300 nan 0.000 0.506 466 T N -2.442 112.259 114.554 0.246 0.000 2.857 466 T HA -0.027 4.323 4.350 -0.000 0.000 0.266 466 T C 2.202 176.966 174.700 0.106 0.000 1.048 466 T CA 0.988 63.175 62.100 0.144 0.000 1.139 466 T CB -0.708 68.225 68.868 0.109 0.000 0.874 466 T HN 0.140 nan 8.240 nan 0.000 0.455 467 A N 2.448 125.341 122.820 0.122 0.000 1.865 467 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 467 A C 2.431 180.066 177.584 0.086 0.000 1.191 467 A CA 1.661 53.739 52.037 0.069 0.000 0.623 467 A CB -0.797 18.238 19.000 0.059 0.000 0.826 467 A HN 0.505 nan 8.150 nan 0.000 0.444 468 I N 0.088 120.756 120.570 0.164 0.000 2.099 468 I HA -0.278 3.892 4.170 -0.000 0.000 0.239 468 I C 2.871 179.024 176.117 0.060 0.000 1.066 468 I CA 1.765 63.142 61.300 0.128 0.000 1.324 468 I CB -1.749 36.339 38.000 0.148 0.000 1.037 468 I HN 0.360 nan 8.210 nan 0.000 0.401 469 A N 0.427 123.278 122.820 0.051 0.000 2.225 469 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 469 A C 1.118 178.710 177.584 0.013 0.000 1.164 469 A CA 1.483 53.530 52.037 0.017 0.000 0.710 469 A CB -0.922 18.086 19.000 0.013 0.000 0.780 469 A HN 0.587 nan 8.150 nan 0.000 0.473 470 N N 0.133 118.844 118.700 0.018 0.000 2.752 470 N HA 0.177 4.917 4.740 -0.000 0.000 0.260 470 N C -0.821 174.679 175.510 -0.017 0.000 1.562 470 N CA -0.139 52.911 53.050 0.001 0.000 0.788 470 N CB 0.021 38.513 38.487 0.007 0.000 1.192 470 N HN 0.132 nan 8.380 nan 0.000 0.503 471 D N 1.731 122.122 120.400 -0.015 0.000 2.978 471 D HA -0.226 4.414 4.640 -0.000 0.000 0.226 471 D C 0.776 177.042 176.300 -0.056 0.000 1.189 471 D CA 1.767 55.751 54.000 -0.027 0.000 0.810 471 D CB -1.256 39.529 40.800 -0.025 0.000 1.096 471 D HN 0.948 nan 8.370 nan 0.000 0.414 472 G N -1.523 107.247 108.800 -0.050 0.000 2.142 472 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.225 472 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.225 472 G C 0.090 174.879 174.900 -0.185 0.000 1.015 472 G CA 0.072 45.120 45.100 -0.087 0.000 0.716 472 G HN 0.570 nan 8.290 nan 0.000 0.508 473 V N 2.024 121.837 119.914 -0.168 0.000 2.305 473 V HA 0.459 4.579 4.120 -0.000 0.000 0.275 473 V C 0.924 176.958 176.094 -0.099 0.000 1.020 473 V CA -0.616 61.539 62.300 -0.242 0.000 0.811 473 V CB 1.225 32.886 31.823 -0.271 0.000 1.031 473 V HN 0.425 nan 8.190 nan 0.000 0.439 474 M N 5.373 124.920 119.600 -0.089 0.000 2.250 474 M HA 0.304 4.783 4.480 -0.000 0.000 0.337 474 M C -0.665 175.648 176.300 0.021 0.000 1.161 474 M CA 0.823 56.111 55.300 -0.019 0.000 1.088 474 M CB 0.281 32.860 32.600 -0.036 0.000 1.639 474 M HN 0.418 nan 8.290 nan 0.000 0.447 475 L N 1.572 122.821 121.223 0.044 0.000 2.362 475 L HA 0.458 4.798 4.340 -0.000 0.000 0.271 475 L C -0.256 176.655 176.870 0.068 0.000 1.002 475 L CA -1.000 53.878 54.840 0.063 0.000 0.818 475 L CB 1.957 44.058 42.059 0.069 0.000 1.298 475 L HN 0.551 nan 8.230 nan 0.000 0.420 476 E N 3.582 123.828 120.200 0.078 0.000 2.360 476 E HA 0.222 4.572 4.350 -0.000 0.000 0.269 476 E C -2.434 174.244 176.600 0.129 0.000 1.022 476 E CA -1.413 55.040 56.400 0.089 0.000 0.887 476 E CB 0.931 30.692 29.700 0.102 0.000 0.990 476 E HN 0.172 nan 8.360 nan 0.000 0.426 477 P HA 0.074 nan 4.420 nan 0.000 0.271 477 P C -1.117 176.452 177.300 0.449 0.000 1.233 477 P CA 0.222 63.472 63.100 0.249 0.000 0.764 477 P CB 0.622 32.396 31.700 0.124 0.000 0.825 478 K N 2.492 123.090 120.400 0.330 0.000 2.238 478 K HA 0.553 4.873 4.320 -0.000 0.000 0.239 478 K C 0.146 176.931 176.600 0.309 0.000 0.987 478 K CA -0.432 55.974 56.287 0.198 0.000 0.857 478 K CB 1.273 33.815 32.500 0.069 0.000 1.154 478 K HN 0.424 nan 8.250 nan 0.000 0.439 479 F N -1.880 118.155 119.950 0.142 0.000 2.828 479 F HA 0.398 4.925 4.527 -0.000 0.000 0.368 479 F C 0.057 175.907 175.800 0.083 0.000 0.877 479 F CA -0.520 57.577 58.000 0.163 0.000 1.071 479 F CB 0.264 39.385 39.000 0.201 0.000 1.006 479 F HN 0.140 nan 8.300 nan 0.000 0.598 480 I N 2.328 122.560 120.570 -0.563 0.000 2.308 480 I HA 0.151 4.321 4.170 -0.000 0.000 0.293 480 I C 1.269 177.321 176.117 -0.108 0.000 1.078 480 I CA -0.157 60.965 61.300 -0.296 0.000 1.292 480 I CB 1.418 39.121 38.000 -0.494 0.000 1.423 480 I HN 0.355 nan 8.210 nan 0.000 0.493 481 S N 5.149 120.874 115.700 0.043 0.000 2.501 481 S HA 0.379 4.849 4.470 -0.000 0.000 0.220 481 S C 0.426 175.064 174.600 0.064 0.000 0.997 481 S CA 0.442 58.681 58.200 0.065 0.000 0.919 481 S CB 0.178 63.450 63.200 0.120 0.000 0.778 481 S HN 0.791 nan 8.310 nan 0.000 0.523 482 A N 0.114 122.996 122.820 0.102 0.000 2.571 482 A HA 0.549 4.869 4.320 -0.000 0.000 0.296 482 A C -1.717 175.984 177.584 0.195 0.000 1.005 482 A CA -0.711 51.393 52.037 0.111 0.000 0.682 482 A CB 0.380 19.427 19.000 0.078 0.000 1.292 482 A HN 0.289 nan 8.150 nan 0.000 0.420 483 I N 2.278 122.941 120.570 0.155 0.000 2.439 483 I HA 0.343 4.513 4.170 -0.000 0.000 0.283 483 I C -0.725 175.527 176.117 0.225 0.000 1.023 483 I CA -0.452 60.956 61.300 0.180 0.000 1.100 483 I CB 1.431 39.465 38.000 0.056 0.000 1.238 483 I HN 0.803 nan 8.210 nan 0.000 0.445 484 Y N 6.196 126.621 120.300 0.208 0.000 2.418 484 Y HA 0.429 4.979 4.550 -0.000 0.000 0.327 484 Y C -0.329 175.646 175.900 0.125 0.000 1.309 484 Y CA -0.408 57.788 58.100 0.160 0.000 1.423 484 Y CB 1.150 39.758 38.460 0.247 0.000 1.423 484 Y HN 0.415 nan 8.280 nan 0.000 0.532 485 D N 0.956 120.699 120.400 -1.094 0.000 2.328 485 D HA 0.142 4.782 4.640 -0.000 0.000 0.243 485 D C -0.074 175.745 176.300 -0.803 0.000 1.324 485 D CA -0.072 53.535 54.000 -0.656 0.000 0.966 485 D CB 1.313 41.894 40.800 -0.364 0.000 1.324 485 D HN 0.751 nan 8.370 nan 0.000 0.549 486 T N 1.809 116.189 114.554 -0.290 0.000 2.848 486 T HA -0.156 4.194 4.350 -0.000 0.000 0.269 486 T C 1.521 176.210 174.700 -0.018 0.000 1.081 486 T CA 1.027 63.160 62.100 0.054 0.000 1.125 486 T CB 0.133 69.097 68.868 0.161 0.000 0.848 486 T HN 0.398 nan 8.240 nan 0.000 0.503 487 N N 2.436 121.085 118.700 -0.085 0.000 2.093 487 N HA -0.053 4.687 4.740 -0.000 0.000 0.186 487 N C 1.551 177.031 175.510 -0.050 0.000 1.080 487 N CA 1.173 54.196 53.050 -0.047 0.000 0.891 487 N CB -0.682 37.778 38.487 -0.045 0.000 1.050 487 N HN 0.507 nan 8.380 nan 0.000 0.444 488 N N 1.574 120.232 118.700 -0.070 0.000 2.627 488 N HA -0.126 4.614 4.740 -0.000 0.000 0.196 488 N C -0.585 174.896 175.510 -0.048 0.000 1.268 488 N CA 0.263 53.285 53.050 -0.046 0.000 0.904 488 N CB -0.208 38.255 38.487 -0.041 0.000 1.016 488 N HN 0.232 nan 8.380 nan 0.000 0.448 489 Q N -0.605 119.143 119.800 -0.087 0.000 2.468 489 Q HA -0.172 4.168 4.340 -0.000 0.000 0.289 489 Q C -0.449 175.547 176.000 -0.007 0.000 1.299 489 Q CA 0.966 56.768 55.803 -0.001 0.000 0.838 489 Q CB -2.372 26.429 28.738 0.104 0.000 1.195 489 Q HN 0.756 nan 8.270 nan 0.000 0.456 490 S N -2.447 113.134 115.700 -0.198 0.000 2.766 490 S HA 0.928 5.398 4.470 -0.000 0.000 0.307 490 S C 0.212 174.771 174.600 -0.069 0.000 1.121 490 S CA -0.402 57.751 58.200 -0.080 0.000 0.980 490 S CB 2.506 65.662 63.200 -0.073 0.000 1.159 490 S HN 0.226 nan 8.310 nan 0.000 0.546 491 V N -0.438 119.503 119.914 0.044 0.000 3.165 491 V HA 0.685 4.805 4.120 -0.000 0.000 0.309 491 V C -0.985 175.139 176.094 0.049 0.000 1.267 491 V CA -1.105 61.260 62.300 0.109 0.000 1.067 491 V CB 2.188 34.104 31.823 0.156 0.000 1.082 491 V HN 0.948 nan 8.190 nan 0.000 0.451 492 R N 1.014 121.544 120.500 0.051 0.000 3.130 492 R HA 0.321 4.661 4.340 -0.000 0.000 0.261 492 R C -1.213 175.096 176.300 0.014 0.000 1.683 492 R CA -0.573 55.537 56.100 0.018 0.000 1.095 492 R CB 1.585 31.881 30.300 -0.006 0.000 1.421 492 R HN 0.616 nan 8.270 nan 0.000 0.454 493 K N 0.774 121.178 120.400 0.007 0.000 2.098 493 K HA 0.354 4.674 4.320 -0.000 0.000 0.257 493 K C 0.202 176.797 176.600 -0.009 0.000 0.999 493 K CA -0.338 55.949 56.287 -0.000 0.000 0.924 493 K CB 1.779 34.274 32.500 -0.008 0.000 1.028 493 K HN 0.186 nan 8.250 nan 0.000 0.466 494 S N 1.051 116.746 115.700 -0.008 0.000 2.654 494 S HA 0.273 4.743 4.470 -0.000 0.000 0.283 494 S C -1.067 173.532 174.600 -0.001 0.000 1.180 494 S CA -0.656 57.537 58.200 -0.013 0.000 1.021 494 S CB 0.764 63.951 63.200 -0.021 0.000 1.018 494 S HN 0.398 nan 8.310 nan 0.000 0.532 495 Q N 2.001 121.803 119.800 0.002 0.000 2.309 495 Q HA 0.242 4.582 4.340 -0.000 0.000 0.273 495 Q C -1.076 174.937 176.000 0.021 0.000 1.040 495 Q CA -0.796 55.014 55.803 0.012 0.000 0.834 495 Q CB 1.925 30.669 28.738 0.009 0.000 1.345 495 Q HN 0.944 nan 8.270 nan 0.000 0.414 496 K N 0.624 121.044 120.400 0.032 0.000 2.606 496 K HA -0.055 4.265 4.320 -0.000 0.000 0.279 496 K C -0.306 176.323 176.600 0.049 0.000 0.961 496 K CA 0.599 56.913 56.287 0.045 0.000 1.002 496 K CB 0.766 33.296 32.500 0.049 0.000 0.871 496 K HN 0.585 nan 8.250 nan 0.000 0.508 497 E N 3.281 123.517 120.200 0.061 0.000 2.220 497 E HA 0.202 4.552 4.350 -0.000 0.000 0.256 497 E C -0.898 175.754 176.600 0.088 0.000 0.881 497 E CA -0.680 55.760 56.400 0.068 0.000 0.766 497 E CB 0.869 30.606 29.700 0.062 0.000 1.187 497 E HN 0.565 nan 8.360 nan 0.000 0.419 498 I N 5.474 126.110 120.570 0.109 0.000 2.421 498 I HA 0.017 4.187 4.170 -0.000 0.000 0.291 498 I C 1.350 177.555 176.117 0.146 0.000 1.089 498 I CA -0.281 61.103 61.300 0.140 0.000 1.354 498 I CB 0.892 39.020 38.000 0.215 0.000 1.413 498 I HN 0.467 nan 8.210 nan 0.000 0.513 499 V N 3.112 123.089 119.914 0.105 0.000 3.646 499 V HA 0.514 4.634 4.120 -0.000 0.000 0.277 499 V C 0.873 177.014 176.094 0.079 0.000 1.274 499 V CA 0.330 62.687 62.300 0.094 0.000 1.164 499 V CB -1.412 30.442 31.823 0.051 0.000 0.926 499 V HN 1.076 nan 8.190 nan 0.000 0.442 500 G N 0.516 109.374 108.800 0.096 0.000 2.343 500 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.465 500 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.465 500 G C -1.147 173.708 174.900 -0.074 0.000 1.282 500 G CA -0.307 44.824 45.100 0.051 0.000 0.996 500 G HN 0.617 nan 8.290 nan 0.000 0.521 501 N N 0.940 119.544 118.700 -0.161 0.000 2.531 501 N HA 0.572 5.312 4.740 -0.000 0.000 0.268 501 N C -1.108 174.241 175.510 -0.269 0.000 1.023 501 N CA -1.721 51.125 53.050 -0.340 0.000 0.896 501 N CB 2.424 40.562 38.487 -0.581 0.000 1.233 501 N HN 0.297 nan 8.380 nan 0.000 0.512 502 P HA -0.004 nan 4.420 nan 0.000 0.216 502 P C 0.139 177.271 177.300 -0.279 0.000 1.154 502 P CA 0.730 63.562 63.100 -0.447 0.000 0.857 502 P CB 0.421 31.527 31.700 -0.990 0.000 0.787 503 V N -3.175 116.608 119.914 -0.217 0.000 2.971 503 V HA 0.606 4.726 4.120 -0.000 0.000 0.309 503 V C 0.078 176.140 176.094 -0.054 0.000 1.130 503 V CA -1.138 61.129 62.300 -0.055 0.000 0.964 503 V CB 1.261 33.104 31.823 0.032 0.000 1.029 503 V HN 0.220 nan 8.190 nan 0.000 0.427 504 S N 2.777 118.467 115.700 -0.016 0.000 2.537 504 S HA -0.019 4.451 4.470 -0.000 0.000 0.280 504 S C 1.231 175.817 174.600 -0.023 0.000 1.335 504 S CA 0.980 59.167 58.200 -0.021 0.000 1.025 504 S CB 0.437 63.641 63.200 0.006 0.000 0.836 504 S HN 1.277 nan 8.310 nan 0.000 0.523 505 K N 2.062 122.447 120.400 -0.025 0.000 2.009 505 K HA -0.179 4.141 4.320 -0.000 0.000 0.210 505 K C 2.414 179.009 176.600 -0.009 0.000 1.049 505 K CA 2.096 58.371 56.287 -0.019 0.000 0.929 505 K CB -1.289 31.205 32.500 -0.011 0.000 0.714 505 K HN 0.886 nan 8.250 nan 0.000 0.440 506 E N 0.759 120.956 120.200 -0.006 0.000 2.097 506 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 506 E C 1.923 178.518 176.600 -0.009 0.000 1.000 506 E CA 1.841 58.236 56.400 -0.007 0.000 0.804 506 E CB -0.989 28.707 29.700 -0.006 0.000 0.740 506 E HN 0.645 nan 8.360 nan 0.000 0.454 507 A N 1.041 123.861 122.820 -0.001 0.000 1.841 507 A HA 0.144 4.464 4.320 -0.000 0.000 0.216 507 A C 2.899 180.490 177.584 0.012 0.000 1.199 507 A CA 3.215 55.255 52.037 0.005 0.000 0.621 507 A CB -1.173 17.842 19.000 0.024 0.000 0.835 507 A HN 1.195 nan 8.150 nan 0.000 0.445 508 A N 0.143 122.978 122.820 0.025 0.000 1.851 508 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 508 A C 2.539 180.133 177.584 0.018 0.000 1.195 508 A CA 3.219 55.278 52.037 0.037 0.000 0.622 508 A CB -1.440 17.582 19.000 0.037 0.000 0.831 508 A HN 1.238 nan 8.150 nan 0.000 0.444 509 S N 0.253 115.956 115.700 0.006 0.000 2.393 509 S HA -0.319 4.151 4.470 -0.000 0.000 0.235 509 S C 1.943 176.543 174.600 -0.001 0.000 1.061 509 S CA 2.762 60.962 58.200 -0.000 0.000 1.129 509 S CB -1.983 61.214 63.200 -0.006 0.000 1.011 509 S HN 1.000 nan 8.310 nan 0.000 0.436 510 T N -1.508 113.039 114.554 -0.012 0.000 3.007 510 T HA 0.004 4.354 4.350 -0.000 0.000 0.270 510 T C 1.710 176.407 174.700 -0.004 0.000 1.107 510 T CA 1.463 63.551 62.100 -0.021 0.000 1.118 510 T CB -1.005 67.828 68.868 -0.058 0.000 0.889 510 T HN 0.522 nan 8.240 nan 0.000 0.506 511 T N 1.725 116.280 114.554 0.001 0.000 2.735 511 T HA 0.069 4.419 4.350 -0.000 0.000 0.256 511 T C 2.170 176.904 174.700 0.056 0.000 1.042 511 T CA 0.643 62.754 62.100 0.018 0.000 1.147 511 T CB -0.134 68.748 68.868 0.022 0.000 0.865 511 T HN 0.388 nan 8.240 nan 0.000 0.421 512 R N 1.612 122.131 120.500 0.032 0.000 2.122 512 R HA -0.131 4.209 4.340 -0.000 0.000 0.236 512 R C 2.329 178.643 176.300 0.023 0.000 1.129 512 R CA 1.920 58.031 56.100 0.019 0.000 0.925 512 R CB -0.688 29.614 30.300 0.003 0.000 0.850 512 R HN 0.323 nan 8.270 nan 0.000 0.431 513 N N -0.031 118.679 118.700 0.017 0.000 2.322 513 N HA -0.204 4.536 4.740 -0.000 0.000 0.189 513 N C 1.573 177.087 175.510 0.006 0.000 1.012 513 N CA 1.126 54.178 53.050 0.004 0.000 0.880 513 N CB -0.309 38.178 38.487 -0.001 0.000 0.967 513 N HN 0.343 nan 8.380 nan 0.000 0.439 514 H N -0.323 118.725 119.070 -0.038 0.000 2.535 514 H HA 0.186 4.742 4.556 -0.000 0.000 0.273 514 H C 1.259 176.572 175.328 -0.025 0.000 0.983 514 H CA 0.583 56.608 56.048 -0.038 0.000 1.238 514 H CB 0.193 29.924 29.762 -0.050 0.000 1.412 514 H HN 0.260 nan 8.280 nan 0.000 0.562 515 M N -0.082 119.549 119.600 0.051 0.000 2.595 515 M HA 0.035 4.515 4.480 -0.000 0.000 0.248 515 M C 1.839 178.116 176.300 -0.038 0.000 1.119 515 M CA 0.425 55.740 55.300 0.025 0.000 1.079 515 M CB 0.318 32.933 32.600 0.025 0.000 1.472 515 M HN 0.162 nan 8.290 nan 0.000 0.501 516 I N -0.124 120.407 120.570 -0.065 0.000 2.500 516 I HA -0.202 3.968 4.170 -0.000 0.000 0.252 516 I C 1.909 177.976 176.117 -0.084 0.000 1.142 516 I CA 0.964 62.227 61.300 -0.061 0.000 1.451 516 I CB -0.155 37.813 38.000 -0.053 0.000 1.093 516 I HN 0.244 nan 8.210 nan 0.000 0.430 517 L N 0.238 121.372 121.223 -0.149 0.000 2.275 517 L HA -0.098 4.242 4.340 -0.000 0.000 0.215 517 L C 1.661 178.464 176.870 -0.113 0.000 1.119 517 L CA 0.495 55.241 54.840 -0.156 0.000 0.790 517 L CB -0.293 41.608 42.059 -0.263 0.000 0.919 517 L HN 0.059 nan 8.230 nan 0.000 0.443 518 V N 0.105 119.961 119.914 -0.096 0.000 3.451 518 V HA 0.105 4.224 4.120 -0.000 0.000 0.332 518 V C 1.386 177.470 176.094 -0.016 0.000 1.198 518 V CA 1.158 63.439 62.300 -0.032 0.000 1.317 518 V CB -0.904 30.922 31.823 0.005 0.000 1.117 518 V HN 0.551 nan 8.190 nan 0.000 0.421 519 G N -1.518 107.265 108.800 -0.029 0.000 3.988 519 G HA2 0.028 3.988 3.960 -0.000 0.000 0.195 519 G HA3 0.028 3.988 3.960 -0.000 0.000 0.195 519 G C 0.677 175.563 174.900 -0.023 0.000 1.060 519 G CA 0.629 45.718 45.100 -0.017 0.000 0.847 519 G HN 0.338 nan 8.290 nan 0.000 0.515 520 T N -0.182 114.350 114.554 -0.038 0.000 3.151 520 T HA 0.173 4.523 4.350 -0.000 0.000 0.239 520 T C 0.451 175.132 174.700 -0.032 0.000 0.979 520 T CA 0.089 62.167 62.100 -0.037 0.000 1.194 520 T CB 0.162 68.999 68.868 -0.052 0.000 0.982 520 T HN 0.164 nan 8.240 nan 0.000 0.428 521 D N 3.567 123.943 120.400 -0.041 0.000 2.412 521 D HA 0.016 4.656 4.640 -0.000 0.000 0.257 521 D C -1.541 174.751 176.300 -0.013 0.000 1.217 521 D CA -0.884 53.098 54.000 -0.029 0.000 0.897 521 D CB 1.266 42.044 40.800 -0.036 0.000 1.132 521 D HN 0.203 nan 8.370 nan 0.000 0.493 522 P HA 0.107 nan 4.420 nan 0.000 0.255 522 P C 0.321 177.623 177.300 0.003 0.000 1.357 522 P CA 0.091 63.191 63.100 -0.001 0.000 0.839 522 P CB -0.031 31.669 31.700 -0.001 0.000 1.356 537 I N 2.217 122.779 120.570 -0.013 0.000 2.836 537 I HA 0.505 4.675 4.170 -0.000 0.000 0.285 537 I C 0.448 176.553 176.117 -0.021 0.000 1.174 537 I CA 0.637 61.920 61.300 -0.028 0.000 1.405 537 I CB 1.150 39.133 38.000 -0.029 0.000 1.385 537 I HN 0.905 nan 8.210 nan 0.000 0.594 538 T N 4.348 118.887 114.554 -0.024 0.000 4.328 538 T HA 0.259 4.609 4.350 -0.000 0.000 0.356 538 T C -0.956 173.737 174.700 -0.011 0.000 0.889 538 T CA -0.550 61.541 62.100 -0.015 0.000 0.998 538 T CB 0.271 69.132 68.868 -0.011 0.000 1.122 538 T HN 0.252 nan 8.240 nan 0.000 0.467 539 V N 6.724 126.636 119.914 -0.003 0.000 2.649 539 V HA 0.424 4.544 4.120 -0.000 0.000 0.292 539 V C -1.889 174.210 176.094 0.009 0.000 1.055 539 V CA -1.677 60.627 62.300 0.007 0.000 1.023 539 V CB 1.221 33.059 31.823 0.025 0.000 0.992 539 V HN 0.740 nan 8.190 nan 0.000 0.480 540 P HA 0.243 nan 4.420 nan 0.000 0.264 540 P C 0.746 178.053 177.300 0.012 0.000 1.236 540 P CA 0.987 64.092 63.100 0.009 0.000 0.811 540 P CB 0.225 31.931 31.700 0.010 0.000 0.840 541 G N 2.162 110.966 108.800 0.007 0.000 2.143 541 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.249 541 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.249 541 G C -0.065 174.840 174.900 0.007 0.000 0.981 541 G CA -0.329 44.775 45.100 0.006 0.000 0.665 541 G HN 0.542 nan 8.290 nan 0.000 0.528 542 Q N -0.685 119.120 119.800 0.009 0.000 2.458 542 Q HA 0.519 4.859 4.340 -0.000 0.000 0.282 542 Q C -0.874 175.128 176.000 0.002 0.000 1.106 542 Q CA -1.082 54.726 55.803 0.008 0.000 0.814 542 Q CB 1.262 30.011 28.738 0.018 0.000 1.425 542 Q HN 0.120 nan 8.270 nan 0.000 0.437 543 N N 0.660 119.359 118.700 -0.002 0.000 2.419 543 N HA 0.312 5.052 4.740 -0.000 0.000 0.277 543 N C -1.278 174.228 175.510 -0.007 0.000 1.006 543 N CA -0.130 52.916 53.050 -0.008 0.000 0.923 543 N CB 1.758 40.238 38.487 -0.013 0.000 1.140 543 N HN 0.230 nan 8.380 nan 0.000 0.488 544 V N 1.799 121.707 119.914 -0.009 0.000 2.370 544 V HA 0.469 4.589 4.120 -0.000 0.000 0.279 544 V C 0.510 176.594 176.094 -0.018 0.000 1.029 544 V CA -1.069 61.225 62.300 -0.009 0.000 0.870 544 V CB 0.979 32.797 31.823 -0.008 0.000 0.984 544 V HN 0.687 nan 8.190 nan 0.000 0.451 545 A N 5.170 127.978 122.820 -0.021 0.000 2.366 545 A HA 0.778 5.098 4.320 -0.000 0.000 0.272 545 A C -0.149 177.413 177.584 -0.036 0.000 1.135 545 A CA -0.104 51.917 52.037 -0.027 0.000 0.804 545 A CB 1.026 20.009 19.000 -0.029 0.000 1.064 545 A HN 1.499 nan 8.150 nan 0.000 0.499 546 V N 0.679 120.577 119.914 -0.027 0.000 3.181 546 V HA 1.006 5.126 4.120 -0.000 0.000 0.307 546 V C -1.427 174.663 176.094 -0.007 0.000 1.310 546 V CA -0.891 61.394 62.300 -0.025 0.000 1.067 546 V CB 2.276 34.096 31.823 -0.004 0.000 1.081 546 V HN 1.031 nan 8.190 nan 0.000 0.453 547 K N 1.548 121.954 120.400 0.010 0.000 2.589 547 K HA 0.553 4.873 4.320 -0.000 0.000 0.298 547 K C -1.222 175.423 176.600 0.075 0.000 1.136 547 K CA 0.660 56.971 56.287 0.040 0.000 1.020 547 K CB 1.214 33.733 32.500 0.031 0.000 1.345 547 K HN 1.566 nan 8.250 nan 0.000 0.478 548 S N 2.052 117.810 115.700 0.096 0.000 2.454 548 S HA 0.948 5.418 4.470 -0.000 0.000 0.306 548 S C 0.037 174.706 174.600 0.114 0.000 1.100 548 S CA 0.215 58.498 58.200 0.138 0.000 1.087 548 S CB 1.497 64.803 63.200 0.176 0.000 1.019 548 S HN 0.783 nan 8.310 nan 0.000 0.480 549 G N 1.597 110.455 108.800 0.096 0.000 2.753 549 G HA2 0.693 4.653 3.960 -0.000 0.000 0.303 549 G HA3 0.693 4.653 3.960 -0.000 0.000 0.303 549 G C -1.277 173.553 174.900 -0.117 0.000 1.242 549 G CA -0.621 44.484 45.100 0.008 0.000 0.810 549 G HN 0.812 nan 8.290 nan 0.000 0.515 550 T N -0.258 114.138 114.554 -0.263 0.000 2.906 550 T HA 0.770 5.119 4.350 -0.000 0.000 0.295 550 T C -0.194 174.277 174.700 -0.382 0.000 1.061 550 T CA 0.199 61.977 62.100 -0.537 0.000 1.000 550 T CB 1.724 69.993 68.868 -0.998 0.000 1.103 550 T HN 1.167 nan 8.240 nan 0.000 0.486 551 A N 1.502 124.120 122.820 -0.337 0.000 2.346 551 A HA 0.805 5.125 4.320 -0.000 0.000 0.313 551 A C -1.035 176.522 177.584 -0.045 0.000 1.140 551 A CA -0.797 51.156 52.037 -0.139 0.000 0.826 551 A CB 1.315 20.309 19.000 -0.010 0.000 1.332 551 A HN 0.723 nan 8.150 nan 0.000 0.457 552 Q N 0.813 120.672 119.800 0.097 0.000 2.320 552 Q HA 0.425 4.765 4.340 -0.000 0.000 0.268 552 Q C -1.311 174.822 176.000 0.221 0.000 1.023 552 Q CA -0.184 55.799 55.803 0.300 0.000 0.744 552 Q CB 1.752 30.760 28.738 0.450 0.000 1.246 552 Q HN 0.671 nan 8.270 nan 0.000 0.462 553 I N 1.976 122.603 120.570 0.095 0.000 2.452 553 I HA 0.247 4.417 4.170 -0.000 0.000 0.287 553 I C 0.630 176.599 176.117 -0.246 0.000 1.079 553 I CA -0.391 60.880 61.300 -0.047 0.000 1.387 553 I CB 0.804 38.804 38.000 0.002 0.000 1.404 553 I HN 0.517 nan 8.210 nan 0.000 0.522 554 A N 5.322 127.866 122.820 -0.459 0.000 2.511 554 A HA -0.019 4.301 4.320 -0.000 0.000 0.242 554 A C 0.419 177.829 177.584 -0.290 0.000 1.069 554 A CA -0.244 51.412 52.037 -0.635 0.000 0.763 554 A CB 0.063 18.715 19.000 -0.580 0.000 1.001 554 A HN 0.784 nan 8.150 nan 0.000 0.498 555 D N 2.290 122.552 120.400 -0.229 0.000 2.455 555 D HA -0.030 4.610 4.640 -0.000 0.000 0.234 555 D C 1.067 177.314 176.300 -0.088 0.000 1.224 555 D CA 0.117 54.053 54.000 -0.106 0.000 0.999 555 D CB 0.249 41.016 40.800 -0.054 0.000 1.072 555 D HN 0.730 nan 8.370 nan 0.000 0.514 556 E N 2.463 122.615 120.200 -0.081 0.000 2.396 556 E HA -0.235 4.115 4.350 -0.000 0.000 0.200 556 E C 1.421 178.000 176.600 -0.035 0.000 1.023 556 E CA 1.025 57.391 56.400 -0.057 0.000 0.857 556 E CB 0.313 29.986 29.700 -0.046 0.000 0.775 556 E HN 0.493 nan 8.360 nan 0.000 0.525 557 K N 0.850 121.233 120.400 -0.030 0.000 2.276 557 K HA 0.027 4.347 4.320 -0.000 0.000 0.198 557 K C 1.029 177.621 176.600 -0.013 0.000 1.052 557 K CA 0.932 57.208 56.287 -0.018 0.000 0.984 557 K CB -0.163 32.328 32.500 -0.015 0.000 0.836 557 K HN 0.251 nan 8.250 nan 0.000 0.490 558 N N -0.281 118.411 118.700 -0.014 0.000 2.451 558 N HA 0.248 4.988 4.740 -0.000 0.000 0.271 558 N C 0.921 176.432 175.510 0.001 0.000 1.410 558 N CA 0.240 53.288 53.050 -0.004 0.000 0.884 558 N CB 0.493 38.980 38.487 0.001 0.000 1.332 558 N HN 0.473 nan 8.380 nan 0.000 0.498 559 G N 1.346 110.140 108.800 -0.010 0.000 2.614 559 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.303 559 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.303 559 G C 0.707 175.613 174.900 0.010 0.000 1.270 559 G CA 1.051 46.149 45.100 -0.004 0.000 0.988 559 G HN 0.936 nan 8.290 nan 0.000 0.551 560 G N -1.272 107.574 108.800 0.077 0.000 2.632 560 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.322 560 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.322 560 G C 0.161 175.201 174.900 0.232 0.000 1.326 560 G CA 1.445 46.649 45.100 0.173 0.000 0.986 560 G HN 1.829 nan 8.290 nan 0.000 0.541 561 Y N -1.563 118.746 120.300 0.015 0.000 2.504 561 Y HA 0.508 5.058 4.550 -0.000 0.000 0.344 561 Y C 0.553 176.459 175.900 0.009 0.000 1.023 561 Y CA -1.150 56.960 58.100 0.016 0.000 1.020 561 Y CB 1.664 40.141 38.460 0.028 0.000 1.282 561 Y HN 0.562 nan 8.280 nan 0.000 0.454 562 L N 4.218 125.471 121.223 0.050 0.000 2.584 562 L HA 0.066 4.406 4.340 -0.000 0.000 0.272 562 L C 0.228 177.125 176.870 0.045 0.000 1.195 562 L CA 0.209 55.063 54.840 0.022 0.000 0.920 562 L CB -0.045 42.006 42.059 -0.013 0.000 1.173 562 L HN 0.382 nan 8.230 nan 0.000 0.489 563 V N 4.150 124.073 119.914 0.014 0.000 3.234 563 V HA 0.940 5.060 4.120 -0.000 0.000 0.317 563 V C 0.597 176.647 176.094 -0.074 0.000 1.081 563 V CA 0.603 62.900 62.300 -0.005 0.000 1.037 563 V CB 1.537 33.368 31.823 0.014 0.000 1.148 563 V HN 1.020 nan 8.190 nan 0.000 0.453 564 G N 2.036 110.779 108.800 -0.095 0.000 2.685 564 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.387 564 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.387 564 G C -0.268 174.468 174.900 -0.273 0.000 1.324 564 G CA 0.003 45.026 45.100 -0.128 0.000 0.878 564 G HN 1.472 nan 8.290 nan 0.000 0.527 565 S N -1.026 114.552 115.700 -0.202 0.000 2.687 565 S HA 0.697 5.167 4.470 -0.000 0.000 0.283 565 S C 1.865 176.353 174.600 -0.186 0.000 1.170 565 S CA 1.382 59.441 58.200 -0.236 0.000 1.008 565 S CB 0.738 63.925 63.200 -0.022 0.000 1.026 565 S HN 2.837 nan 8.310 nan 0.000 0.541 566 T N 0.766 115.308 114.554 -0.019 0.000 10.235 566 T HA -0.303 4.047 4.350 -0.000 0.000 0.395 566 T C 0.375 175.132 174.700 0.095 0.000 1.613 566 T CA 1.873 64.086 62.100 0.187 0.000 2.565 566 T CB -2.325 66.557 68.868 0.024 0.000 2.818 566 T HN 0.629 nan 8.240 nan 0.000 1.101 567 N N 1.605 120.219 118.700 -0.142 0.000 2.683 567 N HA 0.421 5.161 4.740 -0.000 0.000 0.256 567 N C -0.201 175.271 175.510 -0.064 0.000 1.270 567 N CA 0.049 53.041 53.050 -0.098 0.000 0.954 567 N CB -0.336 38.073 38.487 -0.130 0.000 1.289 567 N HN 0.718 nan 8.380 nan 0.000 0.508 568 Y N -1.019 119.297 120.300 0.026 0.000 2.772 568 Y HA 0.540 5.090 4.550 -0.000 0.000 0.324 568 Y C 0.285 176.104 175.900 -0.135 0.000 1.169 568 Y CA -1.383 56.614 58.100 -0.173 0.000 1.198 568 Y CB 1.537 39.622 38.460 -0.626 0.000 1.402 568 Y HN -0.175 nan 8.280 nan 0.000 0.577 569 I N 1.982 122.502 120.570 -0.084 0.000 2.563 569 I HA 0.163 4.333 4.170 -0.000 0.000 0.276 569 I C -1.496 174.514 176.117 -0.177 0.000 1.074 569 I CA -0.313 60.969 61.300 -0.030 0.000 1.124 569 I CB 0.472 38.489 38.000 0.028 0.000 1.225 569 I HN 0.291 nan 8.210 nan 0.000 0.482 570 F N 3.994 123.866 119.950 -0.130 0.000 2.495 570 F HA 0.321 4.848 4.527 -0.000 0.000 0.365 570 F C 1.004 176.764 175.800 -0.067 0.000 1.090 570 F CA -0.053 57.813 58.000 -0.224 0.000 1.235 570 F CB 0.964 39.514 39.000 -0.748 0.000 1.119 570 F HN 0.359 nan 8.300 nan 0.000 0.562 571 S N 1.466 117.266 115.700 0.167 0.000 2.556 571 S HA 0.962 5.432 4.470 -0.000 0.000 0.271 571 S C -1.060 173.719 174.600 0.299 0.000 1.135 571 S CA -0.828 57.531 58.200 0.265 0.000 0.858 571 S CB 1.896 65.299 63.200 0.337 0.000 1.114 571 S HN 0.983 nan 8.310 nan 0.000 0.468 572 A N 0.693 123.726 122.820 0.356 0.000 2.539 572 A HA 0.941 5.261 4.320 -0.000 0.000 0.296 572 A C -1.117 176.649 177.584 0.302 0.000 1.073 572 A CA -0.853 51.353 52.037 0.282 0.000 0.700 572 A CB 1.741 20.889 19.000 0.247 0.000 1.296 572 A HN 1.908 nan 8.150 nan 0.000 0.405 573 V N 0.817 120.811 119.914 0.134 0.000 2.971 573 V HA 0.903 5.023 4.120 -0.000 0.000 0.309 573 V C -0.237 175.811 176.094 -0.077 0.000 1.130 573 V CA 0.561 62.855 62.300 -0.010 0.000 0.964 573 V CB 2.372 33.973 31.823 -0.371 0.000 1.029 573 V HN 1.907 nan 8.190 nan 0.000 0.427 574 T N 2.932 117.431 114.554 -0.092 0.000 2.742 574 T HA 0.769 5.119 4.350 -0.000 0.000 0.282 574 T C -0.735 173.910 174.700 -0.091 0.000 1.025 574 T CA -0.825 61.233 62.100 -0.071 0.000 1.020 574 T CB 2.073 70.925 68.868 -0.027 0.000 1.317 574 T HN 0.781 nan 8.240 nan 0.000 0.538 575 M N 3.004 122.575 119.600 -0.049 0.000 2.571 575 M HA 0.253 4.733 4.480 -0.000 0.000 0.179 575 M C -1.247 175.052 176.300 -0.002 0.000 1.009 575 M CA -0.628 54.653 55.300 -0.032 0.000 0.864 575 M CB 1.084 33.645 32.600 -0.065 0.000 3.064 575 M HN 0.868 nan 8.290 nan 0.000 0.364 576 N N 2.160 120.882 118.700 0.036 0.000 2.362 576 N HA 0.601 5.341 4.740 -0.000 0.000 0.298 576 N C -3.191 172.353 175.510 0.056 0.000 1.048 576 N CA -1.431 51.645 53.050 0.044 0.000 0.858 576 N CB 2.384 40.908 38.487 0.062 0.000 1.218 576 N HN 0.163 nan 8.380 nan 0.000 0.488 577 P HA 0.123 nan 4.420 nan 0.000 0.287 577 P C 0.739 178.036 177.300 -0.005 0.000 1.307 577 P CA -0.105 63.000 63.100 0.009 0.000 0.777 577 P CB 1.191 32.892 31.700 0.002 0.000 0.883 578 A N 5.761 128.578 122.820 -0.005 0.000 1.901 578 A HA -0.342 3.978 4.320 -0.000 0.000 0.227 578 A C 1.965 179.541 177.584 -0.013 0.000 1.551 578 A CA 2.711 54.741 52.037 -0.012 0.000 0.769 578 A CB -1.845 17.147 19.000 -0.013 0.000 0.845 578 A HN 0.529 nan 8.150 nan 0.000 0.481 579 E N -0.158 120.035 120.200 -0.012 0.000 2.181 579 E HA -0.231 4.119 4.350 -0.000 0.000 0.225 579 E C 1.140 177.732 176.600 -0.014 0.000 1.073 579 E CA 1.842 58.235 56.400 -0.012 0.000 0.916 579 E CB -0.260 29.433 29.700 -0.011 0.000 0.793 579 E HN 0.805 nan 8.360 nan 0.000 0.472 580 N N -0.186 118.503 118.700 -0.018 0.000 2.675 580 N HA 0.191 4.931 4.740 -0.000 0.000 0.254 580 N C -2.948 172.539 175.510 -0.037 0.000 1.224 580 N CA -1.746 51.290 53.050 -0.024 0.000 0.777 580 N CB 1.002 39.475 38.487 -0.023 0.000 1.256 580 N HN -0.165 nan 8.380 nan 0.000 0.531 581 P HA 0.096 nan 4.420 nan 0.000 0.268 581 P C -0.498 176.736 177.300 -0.110 0.000 1.208 581 P CA 0.092 63.159 63.100 -0.055 0.000 0.777 581 P CB 1.124 32.804 31.700 -0.033 0.000 0.875 582 D N -0.016 120.272 120.400 -0.187 0.000 3.163 582 D HA 0.137 4.777 4.640 -0.000 0.000 0.228 582 D C 0.017 176.079 176.300 -0.396 0.000 1.521 582 D CA 0.693 54.442 54.000 -0.418 0.000 1.334 582 D CB -0.228 40.108 40.800 -0.774 0.000 1.126 582 D HN 0.214 nan 8.370 nan 0.000 0.304 583 F N 1.513 121.470 119.950 0.012 0.000 2.411 583 F HA 0.440 4.967 4.527 -0.000 0.000 0.350 583 F C 0.545 176.345 175.800 -0.000 0.000 1.114 583 F CA -0.482 57.525 58.000 0.011 0.000 1.135 583 F CB 1.073 40.075 39.000 0.004 0.000 1.120 583 F HN -0.175 nan 8.300 nan 0.000 0.495 584 I N 4.719 125.414 120.570 0.208 0.000 2.362 584 I HA 0.316 4.486 4.170 -0.000 0.000 0.289 584 I C -1.174 175.019 176.117 0.126 0.000 0.994 584 I CA -0.877 60.489 61.300 0.110 0.000 1.158 584 I CB 1.690 39.751 38.000 0.102 0.000 1.315 584 I HN 0.371 nan 8.210 nan 0.000 0.451 585 L N 8.790 130.060 121.223 0.079 0.000 2.333 585 L HA 0.477 4.817 4.340 -0.000 0.000 0.280 585 L C -1.617 175.369 176.870 0.193 0.000 1.004 585 L CA -0.452 54.450 54.840 0.103 0.000 0.820 585 L CB 1.301 43.370 42.059 0.017 0.000 1.247 585 L HN 0.404 nan 8.230 nan 0.000 0.416 586 Y N 5.814 126.183 120.300 0.115 0.000 2.363 586 Y HA 0.672 5.222 4.550 -0.000 0.000 0.325 586 Y C -1.472 174.542 175.900 0.190 0.000 0.984 586 Y CA -1.409 56.810 58.100 0.199 0.000 1.248 586 Y CB 1.273 39.937 38.460 0.340 0.000 1.116 586 Y HN 0.345 nan 8.280 nan 0.000 0.470 587 V N 5.346 125.483 119.914 0.370 0.000 2.581 587 V HA 0.739 4.859 4.120 -0.000 0.000 0.303 587 V C -0.332 175.846 176.094 0.141 0.000 1.041 587 V CA -0.589 61.837 62.300 0.212 0.000 0.907 587 V CB 2.016 34.047 31.823 0.347 0.000 0.994 587 V HN 0.804 nan 8.190 nan 0.000 0.442 588 T N 0.660 115.230 114.554 0.027 0.000 2.912 588 T HA 0.782 5.132 4.350 -0.000 0.000 0.299 588 T C -1.025 173.705 174.700 0.050 0.000 1.052 588 T CA -0.755 61.350 62.100 0.009 0.000 0.996 588 T CB 1.834 70.585 68.868 -0.195 0.000 1.070 588 T HN 0.364 nan 8.240 nan 0.000 0.465 589 V N 2.368 122.332 119.914 0.082 0.000 2.498 589 V HA 0.421 4.540 4.120 -0.000 0.000 0.283 589 V C -0.368 175.779 176.094 0.088 0.000 1.015 589 V CA -0.752 61.580 62.300 0.053 0.000 0.867 589 V CB 1.384 33.232 31.823 0.042 0.000 1.025 589 V HN 1.032 nan 8.190 nan 0.000 0.441 590 Q N 3.413 123.253 119.800 0.067 0.000 2.241 590 Q HA 0.455 4.795 4.340 -0.000 0.000 0.254 590 Q C -0.023 176.022 176.000 0.075 0.000 0.917 590 Q CA -0.365 55.499 55.803 0.101 0.000 0.919 590 Q CB 0.947 29.749 28.738 0.106 0.000 1.237 590 Q HN 0.716 nan 8.270 nan 0.000 0.434 591 Q N 1.610 121.474 119.800 0.108 0.000 2.423 591 Q HA -0.189 4.151 4.340 -0.000 0.000 0.332 591 Q C -2.248 173.738 176.000 -0.024 0.000 1.355 591 Q CA 0.320 56.151 55.803 0.047 0.000 0.947 591 Q CB -1.198 27.541 28.738 0.002 0.000 1.189 591 Q HN 0.534 nan 8.270 nan 0.000 0.418 592 P HA 0.034 nan 4.420 nan 0.000 0.281 592 P C 0.045 177.238 177.300 -0.178 0.000 1.249 592 P CA -0.159 62.867 63.100 -0.122 0.000 0.810 592 P CB 1.004 32.611 31.700 -0.154 0.000 1.008 593 E N 0.154 120.199 120.200 -0.259 0.000 2.106 593 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 593 E C 0.189 176.269 176.600 -0.867 0.000 0.984 593 E CA 1.149 57.230 56.400 -0.532 0.000 0.806 593 E CB -0.018 29.364 29.700 -0.530 0.000 0.750 593 E HN 0.590 nan 8.360 nan 0.000 0.458 594 H N -2.112 116.914 119.070 -0.074 0.000 3.029 594 H HA 0.230 4.786 4.556 -0.000 0.000 0.358 594 H C -1.730 173.555 175.328 -0.072 0.000 1.129 594 H CA -0.651 55.361 56.048 -0.060 0.000 1.230 594 H CB 1.016 30.741 29.762 -0.061 0.000 1.827 594 H HN -0.003 nan 8.280 nan 0.000 0.530 595 Y N 1.651 121.865 120.300 -0.142 0.000 2.317 595 Y HA 0.235 4.785 4.550 -0.000 0.000 0.325 595 Y C -0.553 175.283 175.900 -0.106 0.000 1.066 595 Y CA -0.404 57.540 58.100 -0.260 0.000 1.203 595 Y CB 1.635 39.627 38.460 -0.780 0.000 1.127 595 Y HN 0.628 nan 8.280 nan 0.000 0.451 596 S N 2.803 118.272 115.700 -0.384 0.000 2.586 596 S HA 0.408 4.878 4.470 -0.000 0.000 0.274 596 S C 1.351 175.782 174.600 -0.282 0.000 1.281 596 S CA 0.145 58.213 58.200 -0.220 0.000 1.035 596 S CB 1.202 64.325 63.200 -0.129 0.000 0.962 596 S HN 1.039 nan 8.310 nan 0.000 0.512 597 G N 3.490 112.250 108.800 -0.066 0.000 2.442 597 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.219 597 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.219 597 G C 1.199 176.072 174.900 -0.046 0.000 1.141 597 G CA 1.119 46.221 45.100 0.003 0.000 0.763 597 G HN 0.784 nan 8.290 nan 0.000 0.554 598 I N -0.148 120.387 120.570 -0.057 0.000 2.142 598 I HA -0.185 3.985 4.170 -0.000 0.000 0.240 598 I C 2.833 178.915 176.117 -0.059 0.000 1.078 598 I CA 1.163 62.437 61.300 -0.044 0.000 1.343 598 I CB -0.580 37.402 38.000 -0.029 0.000 1.046 598 I HN 0.077 nan 8.210 nan 0.000 0.405 599 Q N 0.776 120.529 119.800 -0.080 0.000 2.045 599 Q HA -0.289 4.051 4.340 -0.000 0.000 0.215 599 Q C 2.126 178.106 176.000 -0.034 0.000 1.026 599 Q CA 2.305 58.120 55.803 0.021 0.000 0.885 599 Q CB -0.882 27.874 28.738 0.030 0.000 0.984 599 Q HN 0.441 nan 8.270 nan 0.000 0.414 600 L N -0.070 121.076 121.223 -0.128 0.000 1.990 600 L HA -0.137 4.203 4.340 -0.000 0.000 0.213 600 L C 2.007 178.776 176.870 -0.168 0.000 1.072 600 L CA 2.766 57.465 54.840 -0.235 0.000 0.755 600 L CB -1.498 40.607 42.059 0.077 0.000 0.889 600 L HN 0.310 nan 8.230 nan 0.000 0.432 601 G N -0.856 107.895 108.800 -0.082 0.000 2.529 601 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.219 601 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.219 601 G C 1.390 176.237 174.900 -0.088 0.000 1.177 601 G CA 1.055 46.114 45.100 -0.069 0.000 0.773 601 G HN 0.638 nan 8.290 nan 0.000 0.573 602 E N -0.450 119.714 120.200 -0.061 0.000 2.070 602 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 602 E C 2.111 178.676 176.600 -0.057 0.000 1.004 602 E CA 1.223 57.606 56.400 -0.028 0.000 0.805 602 E CB -0.265 29.449 29.700 0.023 0.000 0.744 602 E HN 0.498 nan 8.360 nan 0.000 0.451 603 F N 1.545 121.320 119.950 -0.291 0.000 2.022 603 F HA -0.086 4.441 4.527 -0.000 0.000 0.293 603 F C 2.254 177.871 175.800 -0.305 0.000 1.142 603 F CA 1.460 59.231 58.000 -0.382 0.000 1.177 603 F CB -0.876 37.616 39.000 -0.847 0.000 0.982 603 F HN -0.045 nan 8.300 nan 0.000 0.473 604 A N 0.240 122.659 122.820 -0.668 0.000 1.842 604 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 604 A C 2.216 179.559 177.584 -0.403 0.000 1.206 604 A CA 3.053 54.719 52.037 -0.618 0.000 0.630 604 A CB -1.652 17.192 19.000 -0.259 0.000 0.839 604 A HN 0.528 nan 8.150 nan 0.000 0.447 605 T N 0.684 115.103 114.554 -0.224 0.000 2.527 605 T HA -0.178 4.172 4.350 -0.000 0.000 0.258 605 T C -0.044 174.585 174.700 -0.118 0.000 1.175 605 T CA 2.577 64.596 62.100 -0.135 0.000 1.168 605 T CB -1.598 67.224 68.868 -0.076 0.000 0.860 605 T HN 0.419 nan 8.240 nan 0.000 0.429 606 P HA -0.086 nan 4.420 nan 0.000 0.218 606 P C 1.281 178.635 177.300 0.089 0.000 1.150 606 P CA 0.980 64.117 63.100 0.060 0.000 0.841 606 P CB -0.238 31.579 31.700 0.196 0.000 0.784 607 I N -2.094 118.349 120.570 -0.211 0.000 2.406 607 I HA -0.089 4.081 4.170 -0.000 0.000 0.249 607 I C 2.227 178.217 176.117 -0.212 0.000 1.122 607 I CA 1.164 62.300 61.300 -0.274 0.000 1.431 607 I CB -1.527 36.150 38.000 -0.539 0.000 1.087 607 I HN 0.021 nan 8.210 nan 0.000 0.424 608 L N 0.210 121.318 121.223 -0.192 0.000 2.240 608 L HA -0.102 4.238 4.340 -0.000 0.000 0.211 608 L C 2.478 179.307 176.870 -0.070 0.000 1.106 608 L CA 0.801 55.556 54.840 -0.141 0.000 0.793 608 L CB -0.309 41.702 42.059 -0.080 0.000 0.927 608 L HN 0.274 nan 8.230 nan 0.000 0.446 609 E N 0.538 120.713 120.200 -0.042 0.000 2.031 609 E HA -0.288 4.061 4.350 -0.000 0.000 0.193 609 E C 2.268 178.869 176.600 0.003 0.000 0.994 609 E CA 1.415 57.813 56.400 -0.004 0.000 0.800 609 E CB 0.158 29.865 29.700 0.012 0.000 0.752 609 E HN 0.185 nan 8.360 nan 0.000 0.447 610 R N 0.315 120.828 120.500 0.021 0.000 2.062 610 R HA -0.053 4.287 4.340 -0.000 0.000 0.231 610 R C 2.109 178.382 176.300 -0.045 0.000 1.136 610 R CA 1.676 57.785 56.100 0.015 0.000 0.948 610 R CB -0.650 29.722 30.300 0.120 0.000 0.845 610 R HN 0.193 nan 8.270 nan 0.000 0.430 611 A N -0.091 122.619 122.820 -0.183 0.000 1.859 611 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 611 A C 2.319 179.839 177.584 -0.107 0.000 1.198 611 A CA 2.245 53.997 52.037 -0.476 0.000 0.629 611 A CB -1.218 17.055 19.000 -1.213 0.000 0.830 611 A HN 0.462 nan 8.150 nan 0.000 0.446 612 S N -0.552 115.193 115.700 0.074 0.000 2.365 612 S HA -0.129 4.341 4.470 -0.000 0.000 0.221 612 S C 2.388 177.108 174.600 0.200 0.000 1.037 612 S CA 1.667 60.064 58.200 0.329 0.000 1.060 612 S CB -0.715 62.601 63.200 0.193 0.000 0.974 612 S HN 0.888 nan 8.310 nan 0.000 0.427 613 A N 1.708 124.587 122.820 0.099 0.000 1.873 613 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 613 A C 2.148 179.776 177.584 0.074 0.000 1.193 613 A CA 1.907 53.984 52.037 0.067 0.000 0.629 613 A CB -0.597 18.423 19.000 0.032 0.000 0.826 613 A HN 0.450 nan 8.150 nan 0.000 0.447 614 M N -0.853 118.790 119.600 0.072 0.000 2.349 614 M HA -0.063 4.417 4.480 -0.000 0.000 0.266 614 M C 1.939 178.313 176.300 0.123 0.000 1.076 614 M CA 1.394 56.738 55.300 0.073 0.000 1.126 614 M CB -0.987 31.641 32.600 0.046 0.000 1.392 614 M HN 0.624 nan 8.290 nan 0.000 0.440 615 K N 1.334 121.865 120.400 0.218 0.000 2.250 615 K HA -0.331 3.989 4.320 -0.000 0.000 0.217 615 K C 1.416 178.114 176.600 0.163 0.000 1.010 615 K CA 2.725 59.196 56.287 0.305 0.000 0.937 615 K CB -0.261 32.408 32.500 0.283 0.000 0.892 615 K HN 0.212 nan 8.250 nan 0.000 0.481 616 E N 0.421 120.683 120.200 0.103 0.000 2.048 616 E HA -0.205 4.145 4.350 -0.000 0.000 0.202 616 E C 2.119 178.758 176.600 0.065 0.000 1.021 616 E CA 2.282 58.722 56.400 0.066 0.000 0.825 616 E CB -0.401 29.327 29.700 0.047 0.000 0.756 616 E HN 0.671 nan 8.360 nan 0.000 0.454 617 S N 1.010 116.750 115.700 0.066 0.000 2.370 617 S HA -0.188 4.282 4.470 -0.000 0.000 0.226 617 S C 1.935 176.578 174.600 0.072 0.000 1.033 617 S CA 1.479 59.714 58.200 0.059 0.000 1.011 617 S CB -1.012 62.221 63.200 0.054 0.000 0.852 617 S HN 0.404 nan 8.310 nan 0.000 0.457 618 L N 0.682 121.964 121.223 0.098 0.000 2.784 618 L HA 0.166 4.506 4.340 -0.000 0.000 0.247 618 L C 1.010 177.941 176.870 0.103 0.000 1.162 618 L CA 0.708 55.617 54.840 0.115 0.000 0.881 618 L CB -1.814 40.340 42.059 0.158 0.000 1.032 618 L HN 0.290 nan 8.230 nan 0.000 0.446 619 N N -1.222 117.524 118.700 0.076 0.000 2.978 619 N HA -0.388 4.352 4.740 -0.000 0.000 0.217 619 N C 0.955 176.499 175.510 0.056 0.000 0.185 619 N CA 2.094 55.177 53.050 0.055 0.000 3.809 619 N CB -0.680 37.834 38.487 0.046 0.000 0.981 619 N HN 0.242 nan 8.380 nan 0.000 0.263 620 L N -2.286 118.983 121.223 0.076 0.000 4.775 620 L HA -0.438 3.902 4.340 -0.000 0.000 0.388 620 L C 1.866 178.758 176.870 0.038 0.000 1.571 620 L CA 2.796 57.676 54.840 0.067 0.000 2.261 620 L CB -1.360 40.727 42.059 0.046 0.000 1.390 620 L HN 0.469 nan 8.230 nan 0.000 0.654 621 Q N -0.901 118.913 119.800 0.023 0.000 1.967 621 Q HA 0.168 4.508 4.340 -0.000 0.000 0.196 621 Q C 1.094 177.101 176.000 0.013 0.000 0.978 621 Q CA 1.371 57.181 55.803 0.012 0.000 0.833 621 Q CB -0.346 28.394 28.738 0.004 0.000 0.898 621 Q HN 0.489 nan 8.270 nan 0.000 0.446 622 S N 1.652 117.357 115.700 0.009 0.000 2.565 622 S HA 0.223 4.693 4.470 -0.000 0.000 0.276 622 S C -2.069 172.532 174.600 0.001 0.000 1.326 622 S CA -1.447 56.752 58.200 -0.001 0.000 1.045 622 S CB 0.610 63.805 63.200 -0.008 0.000 0.918 622 S HN -0.058 nan 8.310 nan 0.000 0.505 623 P HA 0.296 nan 4.420 nan 0.000 0.342 623 P C -1.132 176.137 177.300 -0.053 0.000 1.397 623 P CA -0.395 62.692 63.100 -0.022 0.000 0.838 623 P CB 0.052 31.726 31.700 -0.044 0.000 2.030 624 A N -0.978 121.766 122.820 -0.127 0.000 2.404 624 A HA 0.449 4.769 4.320 -0.000 0.000 0.273 624 A C 1.471 178.939 177.584 -0.194 0.000 1.144 624 A CA 0.102 52.026 52.037 -0.188 0.000 0.806 624 A CB -0.636 18.109 19.000 -0.424 0.000 1.080 624 A HN 0.415 nan 8.150 nan 0.000 0.509 625 K N 2.571 122.893 120.400 -0.130 0.000 2.209 625 K HA -0.195 4.125 4.320 -0.000 0.000 0.204 625 K C 1.303 177.814 176.600 -0.149 0.000 1.048 625 K CA 2.162 58.382 56.287 -0.113 0.000 0.940 625 K CB -0.882 31.576 32.500 -0.071 0.000 0.729 625 K HN 0.808 nan 8.250 nan 0.000 0.451 626 N N 0.933 119.513 118.700 -0.200 0.000 2.084 626 N HA -0.078 4.662 4.740 -0.000 0.000 0.190 626 N C 1.612 176.946 175.510 -0.293 0.000 1.030 626 N CA 1.328 54.237 53.050 -0.234 0.000 0.849 626 N CB -0.228 38.089 38.487 -0.283 0.000 1.012 626 N HN 0.288 nan 8.380 nan 0.000 0.423 627 L N 1.026 122.023 121.223 -0.378 0.000 2.191 627 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 627 L C 1.250 178.006 176.870 -0.190 0.000 1.103 627 L CA 1.318 55.948 54.840 -0.350 0.000 0.769 627 L CB -0.929 40.880 42.059 -0.416 0.000 0.908 627 L HN 0.120 nan 8.230 nan 0.000 0.438 628 D N 0.894 121.202 120.400 -0.154 0.000 2.248 628 D HA -0.209 4.431 4.640 -0.000 0.000 0.189 628 D C 1.423 177.682 176.300 -0.068 0.000 1.011 628 D CA 1.972 55.916 54.000 -0.094 0.000 0.868 628 D CB -0.282 40.470 40.800 -0.080 0.000 0.931 628 D HN 0.334 nan 8.370 nan 0.000 0.449 629 K N -0.082 120.276 120.400 -0.071 0.000 2.440 629 K HA 0.513 4.833 4.320 -0.000 0.000 0.270 629 K C 0.608 177.194 176.600 -0.023 0.000 0.980 629 K CA 0.377 56.640 56.287 -0.041 0.000 0.953 629 K CB 0.055 32.530 32.500 -0.043 0.000 0.925 629 K HN 0.724 nan 8.250 nan 0.000 0.497 630 V N -4.521 115.393 119.914 -0.001 0.000 2.866 630 V HA 0.460 4.580 4.120 -0.000 0.000 0.308 630 V C -0.249 175.856 176.094 0.019 0.000 2.011 630 V CA 0.583 62.895 62.300 0.020 0.000 0.886 630 V CB -0.400 31.440 31.823 0.029 0.000 1.170 630 V HN 3.158 nan 8.190 nan 0.000 0.345 631 T N -3.945 110.627 114.554 0.030 0.000 0.543 631 T HA 0.416 4.766 4.350 -0.000 0.000 0.774 631 T C 0.236 174.954 174.700 0.029 0.000 0.992 631 T CA 0.430 62.545 62.100 0.025 0.000 4.077 631 T CB -2.065 66.811 68.868 0.013 0.000 2.303 631 T HN 3.115 nan 8.240 nan 0.000 0.398 632 T N -0.310 114.257 114.554 0.022 0.000 5.266 632 T HA -0.002 4.348 4.350 -0.000 0.000 0.266 632 T C -0.243 174.464 174.700 0.012 0.000 2.221 632 T CA 0.119 62.228 62.100 0.016 0.000 3.668 632 T CB -1.082 67.797 68.868 0.018 0.000 0.163 632 T HN 1.214 nan 8.240 nan 0.000 0.188 633 E N 2.629 122.840 120.200 0.017 0.000 3.556 633 E HA -0.042 4.308 4.350 -0.000 0.000 0.291 633 E C 0.057 176.667 176.600 0.016 0.000 0.761 633 E CA 0.597 57.008 56.400 0.018 0.000 1.045 633 E CB 0.133 29.844 29.700 0.020 0.000 0.825 633 E HN 0.409 nan 8.360 nan 0.000 0.541 634 S N 3.278 118.983 115.700 0.008 0.000 2.589 634 S HA 0.009 4.479 4.470 -0.000 0.000 0.306 634 S C 0.301 174.929 174.600 0.047 0.000 1.221 634 S CA -0.089 58.116 58.200 0.007 0.000 1.159 634 S CB -0.097 63.096 63.200 -0.011 0.000 0.990 634 S HN 0.572 nan 8.310 nan 0.000 0.514 635 S N 2.767 118.495 115.700 0.046 0.000 2.550 635 S HA 0.089 4.559 4.470 -0.000 0.000 0.285 635 S C -0.586 174.100 174.600 0.144 0.000 1.326 635 S CA -0.275 57.967 58.200 0.069 0.000 1.037 635 S CB -0.024 63.195 63.200 0.032 0.000 0.838 635 S HN 0.728 nan 8.310 nan 0.000 0.519 636 Y N 0.585 120.879 120.300 -0.010 0.000 2.362 636 Y HA 0.529 5.079 4.550 -0.000 0.000 0.326 636 Y C -0.265 175.631 175.900 -0.006 0.000 1.083 636 Y CA -0.655 57.440 58.100 -0.008 0.000 1.073 636 Y CB 0.886 39.342 38.460 -0.007 0.000 1.211 636 Y HN 1.129 nan 8.280 nan 0.000 0.433 637 A N 5.418 127.847 122.820 -0.651 0.000 2.366 637 A HA 0.489 4.809 4.320 -0.000 0.000 0.249 637 A C -0.290 176.905 177.584 -0.650 0.000 1.084 637 A CA -0.510 51.222 52.037 -0.508 0.000 0.794 637 A CB 0.270 19.075 19.000 -0.325 0.000 1.034 637 A HN 0.776 nan 8.150 nan 0.000 0.491 638 M N 2.863 122.283 119.600 -0.300 0.000 2.094 638 M HA 0.397 4.877 4.480 -0.000 0.000 0.348 638 M C -2.469 173.748 176.300 -0.137 0.000 1.267 638 M CA -2.725 52.469 55.300 -0.176 0.000 1.125 638 M CB 0.095 32.651 32.600 -0.074 0.000 1.527 638 M HN 0.240 nan 8.290 nan 0.000 0.447 639 P HA -0.020 nan 4.420 nan 0.000 0.266 639 P C -0.727 176.551 177.300 -0.036 0.000 1.186 639 P CA 0.132 63.193 63.100 -0.065 0.000 0.767 639 P CB 0.355 32.047 31.700 -0.012 0.000 0.820 640 S N 1.515 117.197 115.700 -0.031 0.000 2.558 640 S HA 0.122 4.592 4.470 -0.000 0.000 0.293 640 S C 0.578 175.171 174.600 -0.012 0.000 1.292 640 S CA -0.205 57.983 58.200 -0.021 0.000 1.063 640 S CB -0.835 62.354 63.200 -0.019 0.000 0.831 640 S HN 0.397 nan 8.310 nan 0.000 0.499 641 I N 3.120 123.684 120.570 -0.011 0.000 2.410 641 I HA 0.699 4.869 4.170 -0.000 0.000 0.288 641 I C 0.168 176.277 176.117 -0.013 0.000 1.106 641 I CA -0.704 60.591 61.300 -0.007 0.000 1.389 641 I CB -0.998 36.997 38.000 -0.008 0.000 1.561 641 I HN 0.750 nan 8.210 nan 0.000 0.605 642 K N 1.814 122.208 120.400 -0.010 0.000 2.482 642 K HA 0.568 4.888 4.320 -0.000 0.000 0.251 642 K C -0.139 176.456 176.600 -0.007 0.000 0.936 642 K CA -0.417 55.863 56.287 -0.012 0.000 0.791 642 K CB 1.245 33.737 32.500 -0.013 0.000 1.213 642 K HN 0.465 nan 8.250 nan 0.000 0.428 643 D N 1.886 122.281 120.400 -0.008 0.000 2.723 643 D HA -0.251 4.389 4.640 -0.000 0.000 0.236 643 D C -0.649 175.651 176.300 0.001 0.000 1.138 643 D CA 1.184 55.182 54.000 -0.004 0.000 0.676 643 D CB -0.759 40.039 40.800 -0.004 0.000 1.069 643 D HN 0.498 nan 8.370 nan 0.000 0.430 644 I N 0.074 120.646 120.570 0.003 0.000 2.680 644 I HA 0.138 4.308 4.170 -0.000 0.000 0.291 644 I C -0.289 175.836 176.117 0.012 0.000 1.244 644 I CA -0.520 60.786 61.300 0.011 0.000 1.042 644 I CB 1.656 39.665 38.000 0.015 0.000 1.277 644 I HN -0.024 nan 8.210 nan 0.000 0.423 645 S N 6.164 121.875 115.700 0.017 0.000 2.549 645 S HA 0.323 4.793 4.470 -0.000 0.000 0.279 645 S C -1.955 172.662 174.600 0.028 0.000 1.321 645 S CA -0.860 57.352 58.200 0.020 0.000 1.054 645 S CB 0.956 64.169 63.200 0.023 0.000 0.899 645 S HN 0.538 nan 8.310 nan 0.000 0.497 646 P HA -0.151 nan 4.420 nan 0.000 0.219 646 P C 1.536 178.865 177.300 0.049 0.000 1.149 646 P CA 1.840 64.962 63.100 0.036 0.000 0.835 646 P CB -0.301 31.422 31.700 0.037 0.000 0.778 647 G N -0.465 108.365 108.800 0.051 0.000 2.496 647 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.214 647 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.214 647 G C 1.742 176.684 174.900 0.070 0.000 1.234 647 G CA 1.129 46.267 45.100 0.064 0.000 0.807 647 G HN 0.324 nan 8.290 nan 0.000 0.543 648 E N 0.399 120.636 120.200 0.063 0.000 2.394 648 E HA -0.010 4.340 4.350 -0.000 0.000 0.202 648 E C 2.087 178.726 176.600 0.064 0.000 1.029 648 E CA 1.210 57.648 56.400 0.065 0.000 0.855 648 E CB -0.278 29.453 29.700 0.052 0.000 0.770 648 E HN 0.470 nan 8.360 nan 0.000 0.527 649 L N -1.474 119.786 121.223 0.061 0.000 2.262 649 L HA 0.309 4.649 4.340 -0.000 0.000 0.197 649 L C 2.898 179.812 176.870 0.073 0.000 1.073 649 L CA 1.271 56.149 54.840 0.065 0.000 0.800 649 L CB -0.629 41.462 42.059 0.053 0.000 0.987 649 L HN 0.390 nan 8.230 nan 0.000 0.470 650 A N 0.093 122.955 122.820 0.070 0.000 1.958 650 A HA -0.263 4.057 4.320 -0.000 0.000 0.221 650 A C 1.991 179.625 177.584 0.082 0.000 1.178 650 A CA 2.015 54.096 52.037 0.073 0.000 0.642 650 A CB -0.522 18.523 19.000 0.075 0.000 0.816 650 A HN 0.602 nan 8.150 nan 0.000 0.453 651 E N -0.613 119.642 120.200 0.091 0.000 2.107 651 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 651 E C 2.422 179.068 176.600 0.077 0.000 0.982 651 E CA 0.769 57.231 56.400 0.104 0.000 0.809 651 E CB -0.261 29.511 29.700 0.120 0.000 0.756 651 E HN 0.626 nan 8.360 nan 0.000 0.459 652 A N 1.860 124.724 122.820 0.075 0.000 1.828 652 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 652 A C 2.269 179.884 177.584 0.053 0.000 1.203 652 A CA 1.153 53.233 52.037 0.072 0.000 0.614 652 A CB -1.054 18.003 19.000 0.096 0.000 0.844 652 A HN 0.150 nan 8.150 nan 0.000 0.445 653 L N -0.712 120.562 121.223 0.084 0.000 2.171 653 L HA -0.321 4.019 4.340 -0.000 0.000 0.216 653 L C 2.796 179.645 176.870 -0.036 0.000 1.084 653 L CA 1.843 56.725 54.840 0.070 0.000 0.771 653 L CB -0.564 41.552 42.059 0.095 0.000 0.890 653 L HN 0.389 nan 8.230 nan 0.000 0.437 654 R N -0.216 120.272 120.500 -0.021 0.000 2.148 654 R HA -0.050 4.290 4.340 -0.000 0.000 0.223 654 R C 2.071 178.283 176.300 -0.147 0.000 1.088 654 R CA 0.721 56.784 56.100 -0.061 0.000 0.985 654 R CB -0.175 30.125 30.300 -0.001 0.000 0.880 654 R HN 0.435 nan 8.270 nan 0.000 0.451 655 R N 0.425 120.852 120.500 -0.123 0.000 2.323 655 R HA 0.060 4.400 4.340 -0.000 0.000 0.198 655 R C 0.528 176.704 176.300 -0.207 0.000 0.988 655 R CA 0.394 56.408 56.100 -0.145 0.000 1.041 655 R CB 0.105 30.375 30.300 -0.049 0.000 0.926 655 R HN 0.189 nan 8.270 nan 0.000 0.476 656 N N 0.519 119.042 118.700 -0.295 0.000 2.241 656 N HA 0.112 4.852 4.740 -0.000 0.000 0.238 656 N C -0.597 174.691 175.510 -0.371 0.000 1.244 656 N CA -0.081 52.679 53.050 -0.485 0.000 0.880 656 N CB 0.946 38.740 38.487 -1.155 0.000 1.179 656 N HN -0.044 nan 8.380 nan 0.000 0.513 657 I N 0.428 120.857 120.570 -0.234 0.000 6.963 657 I HA -0.256 3.914 4.170 -0.000 0.000 0.126 657 I C -0.829 175.223 176.117 -0.109 0.000 1.830 657 I CA 0.439 61.648 61.300 -0.151 0.000 2.046 657 I CB -1.334 36.595 38.000 -0.118 0.000 3.568 657 I HN -0.162 nan 8.210 nan 0.000 0.172 658 V N 3.145 123.009 119.914 -0.083 0.000 3.130 658 V HA 0.600 4.720 4.120 -0.000 0.000 0.310 658 V C -0.359 175.730 176.094 -0.008 0.000 1.158 658 V CA -0.690 61.597 62.300 -0.022 0.000 1.029 658 V CB 2.662 34.498 31.823 0.022 0.000 1.057 658 V HN 0.376 nan 8.190 nan 0.000 0.436 659 Q N 3.985 123.789 119.800 0.006 0.000 2.558 659 Q HA 0.366 4.706 4.340 -0.000 0.000 0.252 659 Q C -2.674 173.332 176.000 0.009 0.000 1.015 659 Q CA -1.596 54.215 55.803 0.012 0.000 0.720 659 Q CB 2.238 30.984 28.738 0.013 0.000 1.215 659 Q HN 0.480 nan 8.270 nan 0.000 0.500 660 P HA 0.333 nan 4.420 nan 0.000 0.279 660 P C -0.463 176.842 177.300 0.009 0.000 1.282 660 P CA -0.365 62.744 63.100 0.016 0.000 0.788 660 P CB 1.451 33.176 31.700 0.042 0.000 1.139 661 I N -0.416 120.151 120.570 -0.005 0.000 2.586 661 I HA 0.120 4.290 4.170 -0.000 0.000 0.281 661 I C -0.601 175.544 176.117 0.046 0.000 1.145 661 I CA -0.813 60.493 61.300 0.010 0.000 1.073 661 I CB 2.019 39.925 38.000 -0.155 0.000 1.238 661 I HN -0.073 nan 8.210 nan 0.000 0.461 662 V N 6.698 126.663 119.914 0.086 0.000 2.408 662 V HA 0.178 4.298 4.120 -0.000 0.000 0.267 662 V C 0.355 176.526 176.094 0.129 0.000 1.047 662 V CA -0.470 61.887 62.300 0.094 0.000 0.937 662 V CB 1.400 33.270 31.823 0.078 0.000 0.999 662 V HN 0.365 nan 8.190 nan 0.000 0.472 663 V N 5.756 125.766 119.914 0.160 0.000 2.427 663 V HA 0.714 4.834 4.120 -0.000 0.000 0.268 663 V C 0.890 177.085 176.094 0.168 0.000 1.046 663 V CA 0.601 63.030 62.300 0.214 0.000 0.970 663 V CB -0.024 32.014 31.823 0.358 0.000 1.001 663 V HN 1.283 nan 8.190 nan 0.000 0.476 664 G N 4.355 113.237 108.800 0.137 0.000 2.781 664 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.683 664 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.683 664 G C 0.150 175.092 174.900 0.071 0.000 1.390 664 G CA -0.298 44.864 45.100 0.103 0.000 0.850 664 G HN 1.366 nan 8.290 nan 0.000 0.557 665 T N -1.045 113.542 114.554 0.055 0.000 3.332 665 T HA 0.562 4.912 4.350 -0.000 0.000 0.246 665 T C 1.088 175.807 174.700 0.033 0.000 0.943 665 T CA 0.836 62.960 62.100 0.041 0.000 0.922 665 T CB 0.304 69.192 68.868 0.032 0.000 1.086 665 T HN 1.829 nan 8.240 nan 0.000 0.590 666 G N 0.725 109.545 108.800 0.034 0.000 2.395 666 G HA2 0.413 4.373 3.960 -0.000 0.000 0.283 666 G HA3 0.413 4.373 3.960 -0.000 0.000 0.283 666 G C 0.976 175.886 174.900 0.017 0.000 1.178 666 G CA -0.242 44.871 45.100 0.021 0.000 0.837 666 G HN 0.365 nan 8.290 nan 0.000 0.518 667 T N -0.759 113.801 114.554 0.010 0.000 3.023 667 T HA 0.116 4.466 4.350 -0.000 0.000 0.266 667 T C 0.889 175.591 174.700 0.004 0.000 1.093 667 T CA 0.700 62.805 62.100 0.008 0.000 1.129 667 T CB -0.000 68.871 68.868 0.005 0.000 0.899 667 T HN 0.383 nan 8.240 nan 0.000 0.491 668 K N 0.627 121.025 120.400 -0.003 0.000 2.156 668 K HA 0.585 4.905 4.320 -0.000 0.000 0.250 668 K C -0.747 175.840 176.600 -0.021 0.000 0.955 668 K CA -0.840 55.440 56.287 -0.012 0.000 0.855 668 K CB 2.009 34.498 32.500 -0.019 0.000 1.101 668 K HN 0.139 nan 8.250 nan 0.000 0.434 669 I N 3.327 123.881 120.570 -0.027 0.000 2.256 669 I HA 0.029 4.199 4.170 -0.000 0.000 0.294 669 I C 1.376 177.445 176.117 -0.080 0.000 1.127 669 I CA -0.118 61.156 61.300 -0.042 0.000 1.247 669 I CB 0.551 38.536 38.000 -0.026 0.000 1.460 669 I HN 0.653 nan 8.210 nan 0.000 0.511 670 K N 4.338 124.670 120.400 -0.113 0.000 2.113 670 K HA -0.114 4.206 4.320 -0.000 0.000 0.208 670 K C 0.365 176.833 176.600 -0.221 0.000 1.047 670 K CA 1.672 57.862 56.287 -0.162 0.000 0.928 670 K CB 0.353 32.737 32.500 -0.194 0.000 0.716 670 K HN 0.655 nan 8.250 nan 0.000 0.446 671 E N -2.587 117.446 120.200 -0.277 0.000 2.331 671 E HA 0.119 4.469 4.350 -0.000 0.000 0.263 671 E C -1.599 174.873 176.600 -0.213 0.000 1.224 671 E CA -0.429 55.799 56.400 -0.287 0.000 0.898 671 E CB 1.659 31.054 29.700 -0.508 0.000 1.591 671 E HN 0.186 nan 8.360 nan 0.000 0.463 672 T N -2.426 112.102 114.554 -0.043 0.000 2.883 672 T HA 0.332 4.682 4.350 -0.000 0.000 0.301 672 T C 0.479 175.454 174.700 0.458 0.000 1.158 672 T CA -0.136 62.062 62.100 0.164 0.000 1.007 672 T CB 1.406 70.333 68.868 0.098 0.000 1.186 672 T HN 0.431 nan 8.240 nan 0.000 0.499 673 S N 0.059 116.027 115.700 0.446 0.000 2.562 673 S HA 0.276 4.745 4.470 -0.000 0.000 0.221 673 S C 0.422 175.087 174.600 0.109 0.000 0.975 673 S CA -0.140 58.203 58.200 0.239 0.000 0.918 673 S CB -0.165 63.058 63.200 0.038 0.000 0.772 673 S HN 0.719 nan 8.310 nan 0.000 0.531 674 V N 2.731 122.711 119.914 0.111 0.000 2.524 674 V HA 0.334 4.454 4.120 -0.000 0.000 0.297 674 V C -1.209 174.916 176.094 0.052 0.000 1.035 674 V CA -0.934 61.401 62.300 0.058 0.000 0.867 674 V CB 1.760 33.603 31.823 0.033 0.000 1.004 674 V HN 0.260 nan 8.190 nan 0.000 0.426 675 E N 2.845 123.072 120.200 0.044 0.000 2.414 675 E HA 0.135 4.485 4.350 -0.000 0.000 0.263 675 E C 0.297 176.899 176.600 0.004 0.000 1.000 675 E CA -0.010 56.408 56.400 0.029 0.000 0.914 675 E CB 0.350 30.066 29.700 0.026 0.000 0.948 675 E HN 0.703 nan 8.360 nan 0.000 0.444 676 E N 1.160 121.358 120.200 -0.004 0.000 2.537 676 E HA -0.092 4.258 4.350 -0.000 0.000 0.269 676 E C 1.176 177.755 176.600 -0.035 0.000 1.038 676 E CA 1.073 57.459 56.400 -0.024 0.000 0.977 676 E CB 0.075 29.761 29.700 -0.023 0.000 0.973 676 E HN 0.685 nan 8.360 nan 0.000 0.456 677 G N 1.770 110.535 108.800 -0.059 0.000 2.530 677 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.247 677 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.247 677 G C 0.754 175.618 174.900 -0.060 0.000 1.067 677 G CA 1.173 46.234 45.100 -0.065 0.000 0.650 677 G HN 1.036 nan 8.290 nan 0.000 0.531 678 T N 0.102 114.632 114.554 -0.041 0.000 2.856 678 T HA 0.389 4.739 4.350 -0.000 0.000 0.329 678 T C 0.521 175.196 174.700 -0.041 0.000 1.094 678 T CA 1.205 63.287 62.100 -0.030 0.000 1.112 678 T CB 0.099 68.958 68.868 -0.014 0.000 1.009 678 T HN 1.021 nan 8.240 nan 0.000 0.550 679 N N -0.040 118.645 118.700 -0.025 0.000 2.424 679 N HA 0.496 5.236 4.740 -0.000 0.000 0.257 679 N C -1.184 174.331 175.510 0.009 0.000 1.250 679 N CA -0.401 52.639 53.050 -0.015 0.000 0.946 679 N CB 0.492 38.978 38.487 -0.002 0.000 1.175 679 N HN 0.468 nan 8.380 nan 0.000 0.477 680 L N 1.611 122.863 121.223 0.047 0.000 2.482 680 L HA 0.621 4.961 4.340 -0.000 0.000 0.269 680 L C -0.629 176.301 176.870 0.101 0.000 0.967 680 L CA -0.429 54.466 54.840 0.091 0.000 0.851 680 L CB 1.112 43.277 42.059 0.178 0.000 1.242 680 L HN 0.787 nan 8.230 nan 0.000 0.404 681 A N 5.161 128.015 122.820 0.057 0.000 2.287 681 A HA 0.766 5.086 4.320 -0.000 0.000 0.273 681 A C -2.361 175.241 177.584 0.030 0.000 1.091 681 A CA -1.382 50.678 52.037 0.040 0.000 0.817 681 A CB -0.305 18.707 19.000 0.020 0.000 1.069 681 A HN 0.586 nan 8.150 nan 0.000 0.492 682 P HA 0.005 nan 4.420 nan 0.000 0.253 682 P C -0.576 176.722 177.300 -0.005 0.000 1.170 682 P CA 0.782 63.882 63.100 -0.001 0.000 0.806 682 P CB -0.219 31.480 31.700 -0.001 0.000 0.775 683 N N 0.347 119.040 118.700 -0.012 0.000 2.816 683 N HA -0.183 4.557 4.740 -0.000 0.000 0.247 683 N C -0.176 175.333 175.510 -0.003 0.000 1.100 683 N CA 0.702 53.746 53.050 -0.010 0.000 0.687 683 N CB -1.083 37.399 38.487 -0.007 0.000 1.003 683 N HN 0.591 nan 8.380 nan 0.000 0.554 684 Q N 0.601 120.403 119.800 0.003 0.000 2.235 684 Q HA 0.221 4.561 4.340 -0.000 0.000 0.250 684 Q C -0.130 175.865 176.000 -0.008 0.000 0.909 684 Q CA -0.389 55.414 55.803 -0.001 0.000 0.910 684 Q CB 0.987 29.729 28.738 0.007 0.000 1.223 684 Q HN 0.162 nan 8.270 nan 0.000 0.432 685 Q N 1.102 120.883 119.800 -0.031 0.000 2.392 685 Q HA 0.266 4.606 4.340 -0.000 0.000 0.262 685 Q C -0.953 175.012 176.000 -0.059 0.000 1.003 685 Q CA -0.041 55.725 55.803 -0.061 0.000 0.888 685 Q CB 1.212 29.881 28.738 -0.115 0.000 1.260 685 Q HN 0.384 nan 8.270 nan 0.000 0.435 686 V N 3.651 123.528 119.914 -0.061 0.000 2.595 686 V HA 0.165 4.285 4.120 -0.000 0.000 0.269 686 V C -0.181 175.896 176.094 -0.029 0.000 0.982 686 V CA -0.459 61.826 62.300 -0.025 0.000 0.873 686 V CB 0.943 32.780 31.823 0.022 0.000 1.051 686 V HN 0.711 nan 8.190 nan 0.000 0.466 687 L N 4.536 125.724 121.223 -0.058 0.000 2.506 687 L HA 0.250 4.590 4.340 -0.000 0.000 0.281 687 L C -0.457 176.496 176.870 0.139 0.000 1.228 687 L CA 0.518 55.350 54.840 -0.012 0.000 0.850 687 L CB 0.568 42.639 42.059 0.020 0.000 1.110 687 L HN 0.495 nan 8.230 nan 0.000 0.496 688 L N 5.457 126.761 121.223 0.135 0.000 2.529 688 L HA 0.337 4.677 4.340 -0.000 0.000 0.260 688 L C -0.576 176.343 176.870 0.081 0.000 0.997 688 L CA -0.384 54.514 54.840 0.097 0.000 0.885 688 L CB 1.637 43.732 42.059 0.060 0.000 1.185 688 L HN 0.494 nan 8.230 nan 0.000 0.442 689 L N 3.033 124.252 121.223 -0.007 0.000 2.418 689 L HA 0.176 4.516 4.340 -0.000 0.000 0.274 689 L C 0.826 177.663 176.870 -0.054 0.000 1.135 689 L CA 0.169 54.977 54.840 -0.053 0.000 0.870 689 L CB 1.199 43.045 42.059 -0.355 0.000 1.154 689 L HN 0.690 nan 8.230 nan 0.000 0.462 690 S N 1.264 116.971 115.700 0.011 0.000 2.632 690 S HA 0.115 4.585 4.470 -0.000 0.000 0.271 690 S C 0.538 175.128 174.600 -0.016 0.000 1.260 690 S CA -0.906 57.295 58.200 0.002 0.000 1.010 690 S CB 1.263 64.482 63.200 0.032 0.000 0.965 690 S HN 0.681 nan 8.310 nan 0.000 0.534 691 D N -0.130 120.256 120.400 -0.023 0.000 2.403 691 D HA 0.022 4.662 4.640 -0.000 0.000 0.260 691 D C 0.068 176.362 176.300 -0.010 0.000 1.243 691 D CA 0.216 54.199 54.000 -0.030 0.000 0.918 691 D CB -0.601 40.182 40.800 -0.029 0.000 0.939 691 D HN 0.676 nan 8.370 nan 0.000 0.507 692 K N -0.058 120.347 120.400 0.008 0.000 2.535 692 K HA 0.212 4.532 4.320 -0.000 0.000 0.310 692 K C -2.280 174.350 176.600 0.050 0.000 1.178 692 K CA -0.494 55.807 56.287 0.023 0.000 1.052 692 K CB 1.100 33.611 32.500 0.018 0.000 1.364 692 K HN -0.118 nan 8.250 nan 0.000 0.475 693 V N 4.335 124.289 119.914 0.067 0.000 2.357 693 V HA 0.313 4.433 4.120 -0.000 0.000 0.281 693 V C 0.045 176.197 176.094 0.098 0.000 1.015 693 V CA -0.473 61.895 62.300 0.113 0.000 0.827 693 V CB 1.286 33.222 31.823 0.188 0.000 1.018 693 V HN 0.812 nan 8.190 nan 0.000 0.432 694 E N 3.104 123.352 120.200 0.079 0.000 2.651 694 E HA 0.311 4.661 4.350 -0.000 0.000 0.208 694 E C -0.385 176.251 176.600 0.061 0.000 0.997 694 E CA -0.050 56.387 56.400 0.062 0.000 1.020 694 E CB 0.840 30.564 29.700 0.040 0.000 1.052 694 E HN 0.713 nan 8.360 nan 0.000 0.465 695 E N 0.926 121.174 120.200 0.081 0.000 2.354 695 E HA 0.225 4.575 4.350 -0.000 0.000 0.283 695 E C -0.823 175.823 176.600 0.076 0.000 0.938 695 E CA -0.598 55.838 56.400 0.059 0.000 0.777 695 E CB 2.574 32.292 29.700 0.030 0.000 1.222 695 E HN 0.072 nan 8.360 nan 0.000 0.423 696 I N 3.599 124.201 120.570 0.055 0.000 2.741 696 I HA 0.002 4.172 4.170 -0.000 0.000 0.288 696 I C -2.190 173.885 176.117 -0.071 0.000 1.192 696 I CA -1.041 60.281 61.300 0.037 0.000 1.426 696 I CB 0.620 38.623 38.000 0.004 0.000 1.367 696 I HN 0.193 nan 8.210 nan 0.000 0.563 697 P HA 0.075 nan 4.420 nan 0.000 0.275 697 P C -1.313 175.766 177.300 -0.368 0.000 1.266 697 P CA -0.366 62.580 63.100 -0.257 0.000 0.793 697 P CB 0.428 31.922 31.700 -0.343 0.000 1.074 698 D N 0.585 120.792 120.400 -0.321 0.000 2.316 698 D HA 0.169 4.809 4.640 -0.000 0.000 0.245 698 D C 0.255 176.186 176.300 -0.615 0.000 1.171 698 D CA 0.148 53.952 54.000 -0.327 0.000 0.856 698 D CB 0.417 41.113 40.800 -0.173 0.000 1.090 698 D HN 0.227 nan 8.370 nan 0.000 0.476 699 M N 3.115 122.280 119.600 -0.724 0.000 2.333 699 M HA 0.045 4.525 4.480 -0.000 0.000 0.257 699 M C -0.116 175.886 176.300 -0.497 0.000 1.078 699 M CA -0.594 54.021 55.300 -1.141 0.000 1.005 699 M CB 0.358 32.309 32.600 -1.081 0.000 1.444 699 M HN 0.379 nan 8.290 nan 0.000 0.496 700 Y N 1.563 121.682 120.300 -0.302 0.000 2.729 700 Y HA 0.229 4.779 4.550 -0.000 0.000 0.331 700 Y C 1.072 176.955 175.900 -0.029 0.000 1.208 700 Y CA 1.708 59.732 58.100 -0.126 0.000 1.521 700 Y CB 0.159 38.563 38.460 -0.095 0.000 1.233 700 Y HN 0.470 nan 8.280 nan 0.000 0.539 701 G N 3.583 112.162 108.800 -0.369 0.000 2.259 701 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 701 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 701 G C -0.341 174.641 174.900 0.137 0.000 1.001 701 G CA -0.259 44.801 45.100 -0.066 0.000 0.627 701 G HN 0.578 nan 8.290 nan 0.000 0.501 702 W N 2.629 123.874 121.300 -0.091 0.000 2.322 702 W HA 0.555 5.215 4.660 -0.000 0.000 0.328 702 W C 0.905 177.386 176.519 -0.063 0.000 1.395 702 W CA -0.067 57.245 57.345 -0.055 0.000 1.267 702 W CB -0.126 29.312 29.460 -0.036 0.000 1.259 702 W HN 0.669 nan 8.180 nan 0.000 0.560 703 K N 3.842 124.298 120.400 0.093 0.000 2.436 703 K HA -0.030 4.290 4.320 -0.000 0.000 0.275 703 K C 1.338 177.948 176.600 0.017 0.000 0.999 703 K CA 0.370 56.663 56.287 0.011 0.000 0.980 703 K CB 0.071 32.550 32.500 -0.035 0.000 0.919 703 K HN 0.694 nan 8.250 nan 0.000 0.484 704 K N 0.668 121.030 120.400 -0.064 0.000 2.097 704 K HA -0.281 4.039 4.320 -0.000 0.000 0.214 704 K C 2.111 178.676 176.600 -0.058 0.000 1.052 704 K CA 2.553 58.742 56.287 -0.162 0.000 0.932 704 K CB 0.071 32.355 32.500 -0.361 0.000 0.716 704 K HN 0.883 nan 8.250 nan 0.000 0.455 705 E N -0.185 119.977 120.200 -0.064 0.000 2.028 705 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 705 E C 1.777 178.358 176.600 -0.032 0.000 0.988 705 E CA 1.887 58.261 56.400 -0.043 0.000 0.799 705 E CB -0.929 28.728 29.700 -0.073 0.000 0.755 705 E HN 0.302 nan 8.360 nan 0.000 0.447 706 T N 1.694 116.206 114.554 -0.069 0.000 2.721 706 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 706 T C 2.126 176.787 174.700 -0.065 0.000 1.038 706 T CA 2.109 64.108 62.100 -0.169 0.000 1.145 706 T CB -0.482 68.214 68.868 -0.286 0.000 0.858 706 T HN 0.437 nan 8.240 nan 0.000 0.459 707 A N 1.689 124.638 122.820 0.215 0.000 1.898 707 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 707 A C 2.285 180.090 177.584 0.368 0.000 1.181 707 A CA 1.475 53.815 52.037 0.505 0.000 0.620 707 A CB -0.539 18.795 19.000 0.557 0.000 0.819 707 A HN 0.591 nan 8.150 nan 0.000 0.442 708 E N -0.600 119.755 120.200 0.259 0.000 2.077 708 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 708 E C 2.004 178.591 176.600 -0.020 0.000 0.989 708 E CA 1.632 58.124 56.400 0.153 0.000 0.800 708 E CB -0.363 29.427 29.700 0.149 0.000 0.746 708 E HN 0.601 nan 8.360 nan 0.000 0.452 709 T N 0.941 115.404 114.554 -0.152 0.000 2.788 709 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 709 T C 1.473 175.847 174.700 -0.544 0.000 1.044 709 T CA 1.040 62.835 62.100 -0.509 0.000 1.139 709 T CB -0.304 68.139 68.868 -0.708 0.000 0.867 709 T HN 0.189 nan 8.240 nan 0.000 0.454 710 F N 2.176 121.989 119.950 -0.229 0.000 2.206 710 F HA 0.174 4.701 4.527 -0.000 0.000 0.298 710 F C 2.397 178.273 175.800 0.127 0.000 1.090 710 F CA 0.696 58.749 58.000 0.089 0.000 1.323 710 F CB -0.624 38.579 39.000 0.338 0.000 1.028 710 F HN 0.129 nan 8.300 nan 0.000 0.492 711 A N 0.669 123.497 122.820 0.014 0.000 1.933 711 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 711 A C 2.365 179.875 177.584 -0.123 0.000 1.175 711 A CA 1.791 53.780 52.037 -0.080 0.000 0.628 711 A CB -0.823 18.191 19.000 0.023 0.000 0.814 711 A HN 0.489 nan 8.150 nan 0.000 0.444 712 K N -1.341 118.986 120.400 -0.121 0.000 1.984 712 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 712 K C 1.811 178.424 176.600 0.022 0.000 1.046 712 K CA 1.502 57.739 56.287 -0.082 0.000 0.934 712 K CB -0.370 32.037 32.500 -0.154 0.000 0.717 712 K HN 0.547 nan 8.250 nan 0.000 0.438 713 W N 1.183 122.415 121.300 -0.114 0.000 2.331 713 W HA -0.137 4.523 4.660 -0.000 0.000 0.291 713 W C 1.650 178.069 176.519 -0.167 0.000 1.214 713 W CA 0.890 58.162 57.345 -0.121 0.000 1.228 713 W CB -0.399 29.004 29.460 -0.095 0.000 1.135 713 W HN 0.163 nan 8.180 nan 0.000 0.537 714 L N -0.466 120.723 121.223 -0.057 0.000 2.808 714 L HA 0.118 4.458 4.340 -0.000 0.000 0.246 714 L C 0.157 176.973 176.870 -0.091 0.000 1.153 714 L CA 0.091 54.859 54.840 -0.121 0.000 0.956 714 L CB -0.295 41.596 42.059 -0.279 0.000 1.270 714 L HN -0.195 nan 8.230 nan 0.000 0.528 715 D N 2.275 122.635 120.400 -0.067 0.000 2.718 715 D HA -0.159 4.481 4.640 -0.000 0.000 0.242 715 D C -0.353 175.914 176.300 -0.054 0.000 1.123 715 D CA 0.462 54.434 54.000 -0.045 0.000 0.690 715 D CB -0.440 40.346 40.800 -0.023 0.000 1.059 715 D HN 0.249 nan 8.370 nan 0.000 0.429 716 I N -1.781 118.744 120.570 -0.075 0.000 2.493 716 I HA 0.509 4.679 4.170 -0.000 0.000 0.298 716 I C 0.374 176.461 176.117 -0.051 0.000 0.998 716 I CA -0.948 60.319 61.300 -0.054 0.000 1.137 716 I CB 1.587 39.560 38.000 -0.046 0.000 1.310 716 I HN 0.084 nan 8.210 nan 0.000 0.445 717 E N 5.286 125.459 120.200 -0.046 0.000 2.104 717 E HA 0.326 4.676 4.350 -0.000 0.000 0.278 717 E C -0.888 175.658 176.600 -0.091 0.000 1.127 717 E CA -0.324 56.041 56.400 -0.057 0.000 0.897 717 E CB 0.659 30.332 29.700 -0.045 0.000 1.043 717 E HN 0.543 nan 8.360 nan 0.000 0.410 718 L N 3.690 124.835 121.223 -0.131 0.000 2.439 718 L HA 0.383 4.723 4.340 -0.000 0.000 0.259 718 L C 0.100 176.787 176.870 -0.306 0.000 1.129 718 L CA -0.061 54.621 54.840 -0.262 0.000 0.803 718 L CB 1.164 42.997 42.059 -0.377 0.000 1.161 718 L HN 0.635 nan 8.230 nan 0.000 0.462 719 E N 1.380 121.315 120.200 -0.442 0.000 2.343 719 E HA 0.288 4.638 4.350 -0.000 0.000 0.288 719 E C -1.850 174.533 176.600 -0.361 0.000 0.907 719 E CA -0.580 55.645 56.400 -0.292 0.000 0.792 719 E CB 1.203 30.822 29.700 -0.135 0.000 1.275 719 E HN 0.223 nan 8.360 nan 0.000 0.402 720 F N 2.152 122.106 119.950 0.006 0.000 2.410 720 F HA 0.488 5.015 4.527 -0.000 0.000 0.349 720 F C 0.910 176.710 175.800 -0.000 0.000 1.117 720 F CA -0.033 57.969 58.000 0.003 0.000 1.104 720 F CB 1.547 40.548 39.000 0.002 0.000 1.122 720 F HN 0.526 nan 8.300 nan 0.000 0.483 721 E N 1.803 122.114 120.200 0.184 0.000 2.199 721 E HA 0.724 5.074 4.350 -0.000 0.000 0.269 721 E C 0.296 176.951 176.600 0.092 0.000 0.899 721 E CA -0.570 55.891 56.400 0.102 0.000 0.772 721 E CB 1.202 30.936 29.700 0.056 0.000 1.155 721 E HN 1.296 nan 8.360 nan 0.000 0.408 722 G N 0.433 109.269 108.800 0.060 0.000 2.587 722 G HA2 0.307 4.267 3.960 -0.000 0.000 0.212 722 G HA3 0.307 4.267 3.960 -0.000 0.000 0.212 722 G C 0.183 175.098 174.900 0.025 0.000 1.327 722 G CA 0.223 45.346 45.100 0.038 0.000 0.898 722 G HN 2.061 nan 8.290 nan 0.000 0.551 723 S N -0.970 114.733 115.700 0.004 0.000 2.614 723 S HA 0.961 5.431 4.470 -0.000 0.000 0.275 723 S C 0.146 174.726 174.600 -0.033 0.000 1.161 723 S CA 0.528 58.717 58.200 -0.018 0.000 0.969 723 S CB 1.529 64.721 63.200 -0.014 0.000 1.059 723 S HN 2.735 nan 8.310 nan 0.000 0.482 724 G N 1.028 109.792 108.800 -0.060 0.000 2.450 724 G HA2 0.562 4.522 3.960 -0.000 0.000 0.273 724 G HA3 0.562 4.522 3.960 -0.000 0.000 0.273 724 G C -0.142 174.699 174.900 -0.097 0.000 1.221 724 G CA -0.050 45.011 45.100 -0.066 0.000 0.900 724 G HN 1.561 nan 8.290 nan 0.000 0.483 725 S N -2.194 113.450 115.700 -0.093 0.000 2.817 725 S HA 0.657 5.127 4.470 -0.000 0.000 0.262 725 S C 0.451 174.992 174.600 -0.098 0.000 1.051 725 S CA 1.089 59.225 58.200 -0.106 0.000 1.185 725 S CB 0.165 63.318 63.200 -0.078 0.000 1.152 725 S HN 2.165 nan 8.310 nan 0.000 0.653 726 V N 1.031 120.891 119.914 -0.090 0.000 2.962 726 V HA 0.849 4.969 4.120 -0.000 0.000 0.313 726 V C -0.309 175.728 176.094 -0.095 0.000 1.099 726 V CA -1.296 60.957 62.300 -0.078 0.000 0.971 726 V CB 2.098 33.866 31.823 -0.092 0.000 1.028 726 V HN 0.109 nan 8.190 nan 0.000 0.430 727 V N 3.646 123.520 119.914 -0.067 0.000 2.455 727 V HA 0.262 4.382 4.120 -0.000 0.000 0.273 727 V C 0.677 176.598 176.094 -0.290 0.000 1.045 727 V CA 0.262 62.518 62.300 -0.073 0.000 0.976 727 V CB 0.768 32.608 31.823 0.028 0.000 0.993 727 V HN 1.039 nan 8.190 nan 0.000 0.475 728 Q N 3.482 123.148 119.800 -0.224 0.000 2.189 728 Q HA 0.348 4.688 4.340 -0.000 0.000 0.223 728 Q C 0.157 176.173 176.000 0.027 0.000 0.828 728 Q CA -0.018 55.620 55.803 -0.275 0.000 0.967 728 Q CB 1.109 29.769 28.738 -0.129 0.000 1.139 728 Q HN 0.649 nan 8.270 nan 0.000 0.497 729 K N 1.543 121.949 120.400 0.010 0.000 2.582 729 K HA 0.115 4.435 4.320 -0.000 0.000 0.259 729 K C -1.801 174.801 176.600 0.003 0.000 0.973 729 K CA -0.159 56.151 56.287 0.038 0.000 0.880 729 K CB 1.520 34.046 32.500 0.044 0.000 1.310 729 K HN 0.036 nan 8.250 nan 0.000 0.443 730 Q N 1.971 121.760 119.800 -0.018 0.000 2.345 730 Q HA 0.312 4.652 4.340 -0.000 0.000 0.268 730 Q C -0.361 175.618 176.000 -0.035 0.000 1.054 730 Q CA -0.645 55.131 55.803 -0.045 0.000 0.835 730 Q CB 1.995 30.677 28.738 -0.094 0.000 1.339 730 Q HN 0.629 nan 8.270 nan 0.000 0.447 731 D N 0.614 120.993 120.400 -0.034 0.000 2.327 731 D HA 0.012 4.652 4.640 -0.000 0.000 0.205 731 D C 0.016 176.298 176.300 -0.030 0.000 0.989 731 D CA 0.106 54.090 54.000 -0.027 0.000 0.873 731 D CB 0.403 41.190 40.800 -0.023 0.000 0.955 731 D HN 0.242 nan 8.370 nan 0.000 0.515 732 V N 2.290 122.181 119.914 -0.038 0.000 2.318 732 V HA 0.302 4.422 4.120 -0.000 0.000 0.271 732 V C 0.328 176.390 176.094 -0.054 0.000 1.030 732 V CA -1.056 61.223 62.300 -0.035 0.000 0.844 732 V CB 0.371 32.181 31.823 -0.021 0.000 1.015 732 V HN 0.215 nan 8.190 nan 0.000 0.460 733 R N 2.569 123.035 120.500 -0.056 0.000 2.641 733 R HA 0.364 4.704 4.340 -0.000 0.000 0.269 733 R C 0.128 176.375 176.300 -0.088 0.000 1.074 733 R CA -0.492 55.563 56.100 -0.076 0.000 1.133 733 R CB -0.192 30.062 30.300 -0.076 0.000 1.029 733 R HN 0.522 nan 8.270 nan 0.000 0.488 734 T N 3.087 117.574 114.554 -0.111 0.000 2.923 734 T HA -0.077 4.273 4.350 -0.000 0.000 0.309 734 T C 0.225 174.869 174.700 -0.094 0.000 1.059 734 T CA 0.597 62.627 62.100 -0.117 0.000 1.133 734 T CB -0.202 68.588 68.868 -0.130 0.000 1.053 734 T HN 0.848 nan 8.240 nan 0.000 0.530 735 N N -0.198 118.459 118.700 -0.072 0.000 2.741 735 N HA -0.147 4.593 4.740 -0.000 0.000 0.250 735 N C -0.069 175.420 175.510 -0.035 0.000 1.115 735 N CA 1.032 54.054 53.050 -0.047 0.000 0.724 735 N CB -1.886 36.569 38.487 -0.055 0.000 1.090 735 N HN 0.666 nan 8.380 nan 0.000 0.558 736 T N 0.345 114.882 114.554 -0.030 0.000 2.899 736 T HA 0.547 4.897 4.350 -0.000 0.000 0.284 736 T C 0.830 175.532 174.700 0.003 0.000 1.004 736 T CA -0.011 62.079 62.100 -0.018 0.000 1.043 736 T CB 1.374 70.230 68.868 -0.019 0.000 1.013 736 T HN 0.323 nan 8.240 nan 0.000 0.518 737 A N 2.390 125.213 122.820 0.005 0.000 2.541 737 A HA 0.204 4.524 4.320 -0.000 0.000 0.293 737 A C 1.496 179.094 177.584 0.024 0.000 1.307 737 A CA -0.192 51.854 52.037 0.015 0.000 0.978 737 A CB -1.040 17.966 19.000 0.010 0.000 1.111 737 A HN 1.024 nan 8.150 nan 0.000 0.535 738 I N 2.137 122.731 120.570 0.041 0.000 2.502 738 I HA -0.275 3.895 4.170 -0.000 0.000 0.258 738 I C 2.313 178.452 176.117 0.037 0.000 1.172 738 I CA 1.716 63.050 61.300 0.057 0.000 1.430 738 I CB -0.083 37.973 38.000 0.094 0.000 1.086 738 I HN 0.911 nan 8.210 nan 0.000 0.440 739 K N 1.249 121.665 120.400 0.027 0.000 2.030 739 K HA -0.258 4.062 4.320 -0.000 0.000 0.222 739 K C 0.543 177.150 176.600 0.012 0.000 1.056 739 K CA 2.283 58.581 56.287 0.017 0.000 0.957 739 K CB -0.159 32.349 32.500 0.013 0.000 0.727 739 K HN 0.421 nan 8.250 nan 0.000 0.452 740 N N 0.623 119.329 118.700 0.010 0.000 2.535 740 N HA 0.173 4.913 4.740 -0.000 0.000 0.294 740 N C -1.095 174.418 175.510 0.004 0.000 1.408 740 N CA -0.067 52.987 53.050 0.005 0.000 0.927 740 N CB 0.574 39.062 38.487 0.003 0.000 1.276 740 N HN 0.067 nan 8.380 nan 0.000 0.505 741 I N 0.460 121.035 120.570 0.008 0.000 2.460 741 I HA 0.319 4.489 4.170 -0.000 0.000 0.298 741 I C 1.319 177.436 176.117 0.000 0.000 0.989 741 I CA -0.297 61.007 61.300 0.006 0.000 1.173 741 I CB 1.628 39.637 38.000 0.015 0.000 1.338 741 I HN 0.038 nan 8.210 nan 0.000 0.456 742 K N 4.241 124.637 120.400 -0.007 0.000 2.436 742 K HA 0.327 4.647 4.320 -0.000 0.000 0.198 742 K C 0.723 177.310 176.600 -0.021 0.000 1.174 742 K CA 0.375 56.654 56.287 -0.013 0.000 0.951 742 K CB 0.432 32.924 32.500 -0.013 0.000 1.040 742 K HN 0.632 nan 8.250 nan 0.000 0.536 743 K N 0.949 121.336 120.400 -0.022 0.000 2.652 743 K HA 0.454 4.774 4.320 -0.000 0.000 0.249 743 K C -1.805 174.771 176.600 -0.040 0.000 0.986 743 K CA -0.484 55.781 56.287 -0.037 0.000 0.867 743 K CB 1.191 33.666 32.500 -0.040 0.000 1.201 743 K HN 0.163 nan 8.250 nan 0.000 0.450 744 I N 3.346 123.887 120.570 -0.048 0.000 2.321 744 I HA 0.293 4.463 4.170 -0.000 0.000 0.291 744 I C 0.241 176.298 176.117 -0.099 0.000 0.998 744 I CA -0.563 60.706 61.300 -0.051 0.000 1.227 744 I CB 1.501 39.487 38.000 -0.023 0.000 1.368 744 I HN 0.620 nan 8.210 nan 0.000 0.466 745 K N 7.634 127.984 120.400 -0.082 0.000 2.227 745 K HA 0.687 5.007 4.320 -0.000 0.000 0.280 745 K C -0.865 175.692 176.600 -0.071 0.000 1.041 745 K CA -0.344 55.885 56.287 -0.096 0.000 0.905 745 K CB 0.695 33.163 32.500 -0.054 0.000 1.068 745 K HN 0.637 nan 8.250 nan 0.000 0.470 746 L N 3.102 124.278 121.223 -0.079 0.000 2.295 746 L HA 0.278 4.618 4.340 -0.000 0.000 0.281 746 L C 0.139 177.088 176.870 0.132 0.000 1.018 746 L CA -0.909 53.952 54.840 0.034 0.000 0.841 746 L CB 1.798 43.916 42.059 0.098 0.000 1.218 746 L HN 0.719 nan 8.230 nan 0.000 0.424 747 T N 4.857 119.454 114.554 0.072 0.000 2.769 747 T HA 0.300 4.650 4.350 -0.000 0.000 0.293 747 T C 0.385 175.122 174.700 0.061 0.000 0.931 747 T CA -0.024 62.117 62.100 0.069 0.000 1.139 747 T CB 0.077 68.969 68.868 0.040 0.000 0.881 747 T HN 0.268 nan 8.240 nan 0.000 0.532 748 L N 2.552 123.815 121.223 0.067 0.000 2.416 748 L HA 0.788 5.128 4.340 -0.000 0.000 0.262 748 L C 0.907 177.766 176.870 -0.019 0.000 1.093 748 L CA -0.736 54.109 54.840 0.009 0.000 0.801 748 L CB 1.119 43.163 42.059 -0.026 0.000 1.191 748 L HN 0.729 nan 8.230 nan 0.000 0.459 749 G N -0.297 108.472 108.800 -0.051 0.000 2.761 749 G HA2 0.434 4.394 3.960 -0.000 0.000 0.296 749 G HA3 0.434 4.394 3.960 -0.000 0.000 0.296 749 G C -1.507 173.363 174.900 -0.049 0.000 1.416 749 G CA -0.361 44.715 45.100 -0.040 0.000 1.105 749 G HN 0.674 nan 8.290 nan 0.000 0.565 750 D N 0.000 120.381 120.400 -0.031 0.000 6.856 750 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 750 D CA 0.000 53.983 54.000 -0.028 0.000 0.868 750 D CB 0.000 40.789 40.800 -0.018 0.000 0.688 750 D HN 0.000 nan 8.370 nan 0.000 0.683